 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer03_STD_B3LYPDBJ_augccpVDZ.in
 Output=30_ibuprofen_conformer03_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-41800.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     41832.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer03_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer03_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.859135000000     -0.797445000000      1.307905000000
  C                                                 1.475419000000     -0.773087000000      0.059735000000
  C                                                -0.519198000000     -0.667837000000      1.430715000000
  C                                                -1.322882000000     -0.517669000000      0.305982000000
  C                                                -0.712213000000     -0.493664000000     -0.948233000000
  C                                                 0.663373000000     -0.619230000000     -1.065423000000
  C                                                 2.970409000000     -0.867475000000     -0.082211000000
  C                                                 3.653427000000      0.477889000000     -0.397780000000
  C                                                 5.142776000000      0.265827000000     -0.664323000000
  C                                                 3.434072000000      1.499169000000      0.716682000000
  C                                                -2.832871000000     -0.408434000000      0.441812000000
  C                                                -3.288620000000      0.891062000000     -0.193882000000
  O                                                -3.674162000000      1.023041000000     -1.326622000000
  O                                                -3.185052000000      1.931949000000      0.663544000000
  H                                                 1.465467000000     -0.914551000000      2.198032000000
  H                                                -0.973985000000     -0.684881000000      2.413842000000
  H                                                -1.317893000000     -0.368693000000     -1.836932000000
  H                                                 1.116639000000     -0.598906000000     -2.049722000000
  H                                                 3.214767000000     -1.574910000000     -0.879790000000
  H                                                 3.401771000000     -1.271409000000      0.838508000000
  H                                                 3.194988000000      0.870891000000     -1.312084000000
  H                                                 5.304831000000     -0.437524000000     -1.483935000000
  H                                                 5.641346000000     -0.134788000000      0.222807000000
  H                                                 5.634047000000      1.205490000000     -0.924389000000
  H                                                 3.868992000000      1.144050000000      1.655622000000
  H                                                 2.373464000000      1.684234000000      0.888790000000
  H                                                 3.908029000000      2.451247000000      0.470321000000
  H                                                -3.064982000000     -0.343640000000      1.505550000000
  C                                                -3.561082000000     -1.603695000000     -0.175784000000
  H                                                -3.441613000000      2.729075000000      0.173539000000
  H                                                -3.372170000000     -1.659027000000     -1.246468000000
  H                                                -4.638896000000     -1.523016000000     -0.028230000000
  H                                                -3.211554000000     -2.526025000000      0.287996000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392238   0.000000
     3  C    1.389850   2.422635   0.000000
     4  C    2.417297   2.820703   1.390497   0.000000
     5  C    2.766148   2.424832   2.393112   1.395187   0.000000
     6  C    2.388047   1.396091   2.762525   2.415838   1.386267
     7  C    2.528795   1.504677   3.808695   4.324975   3.801504
     8  C    3.513390   2.553033   4.697540   5.123482   4.506188
     9  C    4.834233   3.879834   6.108917   6.584838   5.910865
    10  C    3.500612   3.071001   4.564439   5.183138   4.892341
    11  C    3.812133   4.340543   2.529486   1.520016   2.537061
    12  C    4.723377   5.052700   3.569199   2.469517   3.020660
    13  O    5.550287   5.627277   4.518382   3.250800   3.349136
    14  O    4.921406   5.422342   3.801870   3.097766   3.820518
    15  H    1.083364   2.142994   2.142087   3.392972   3.849470
    16  H    2.143851   3.398408   1.083356   2.143073   3.377667
    17  H    3.848802   3.400511   3.377117   2.148092   1.082706
    18  H    3.373334   2.146828   3.846317   3.392227   2.137534
    19  H    3.307486   2.133298   4.483716   4.807710   4.073690
    20  H    2.628683   2.136737   4.011110   4.813944   4.552164
    21  H    3.886373   2.746173   4.866807   4.995737   4.154590
    22  H    5.261951   4.142453   6.516713   6.865625   6.041105
    23  H    4.948343   4.217697   6.300435   6.975241   6.470536
    24  H    5.638676   4.709294   6.849693   7.271998   6.569833
    25  H    3.598548   3.457089   4.752865   5.615905   5.518116
    26  H    2.937274   2.744493   3.767415   4.341776   4.199916
    27  H    4.533354   4.059865   5.500126   6.016968   5.659632
    28  H    3.955211   4.784354   2.567435   2.122301   3.402805
    29  C    4.731775   5.109963   3.565070   2.533987   3.153554
    30  H    5.676228   6.037822   4.654032   3.879163   4.369673
    31  H    5.017080   5.098056   4.035990   2.812895   2.919313
    32  H    5.704389   6.160761   4.453287   3.481145   4.162308
    33  H    4.538580   5.009253   3.465177   2.756973   3.450429
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.520069   0.000000
     8  C    3.254203   1.541461   0.000000
     9  C    4.583586   2.518413   1.527801   0.000000
    10  C    3.916668   2.540515   1.527467   2.519519   0.000000
    11  C    3.813124   5.844945   6.600193   8.080168   6.556606
    12  C    4.319585   6.502335   6.957320   8.467625   6.811278
    13  O    4.645373   7.019468   7.406315   8.874143   7.411395
    14  O    4.930336   6.803133   7.071456   8.596041   6.633470
    15  H    3.373530   2.732503   3.669373   4.807179   3.449036
    16  H    3.845847   4.671388   5.538068   6.913300   5.203979
    17  H    2.140890   4.660189   5.244224   6.596808   5.708855
    18  H    1.083839   2.716559   3.213050   4.344752   4.174375
    19  H    2.730823   1.093758   2.153773   2.674314   3.470847
    20  H    3.398399   1.094056   2.156799   2.766350   2.773443
    21  H    2.947944   2.141247   1.095705   2.139994   2.137238
    22  H    4.663829   2.756667   2.178267   1.092121   3.477533
    23  H    5.164730   2.786354   2.170789   1.093647   2.790302
    24  H    5.296895   3.478709   2.174759   1.091764   2.760299
    25  H    4.559521   2.806020   2.169493   2.788538   1.094017
    26  H    3.471211   2.794710   2.179182   3.477517   1.090303
    27  H    4.723784   3.492612   2.170844   2.754647   1.091687
    28  H    4.537233   6.262694   7.030974   8.511586   6.801173
    29  C    4.427940   6.573519   7.512085   8.915768   7.704313
    30  H    5.440320   7.356263   7.465510   8.970024   7.005906
    31  H    4.171278   6.496950   7.392273   8.749186   7.755842
    32  H    5.477833   7.637681   8.538314   9.964220   8.652243
    33  H    4.525778   6.411280   7.524743   8.859807   7.781408
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516741   0.000000
    13  O    2.425747   1.203811   0.000000
    14  O    2.377097   1.352535   2.241897   0.000000
    15  H    4.670779   5.619861   6.526349   5.664322   0.000000
    16  H    2.724111   3.826402   4.919250   3.847098   2.459725
    17  H    2.736679   2.858384   2.783764   3.877063   4.932138
    18  H    4.673612   5.007040   5.109340   5.680808   4.273725
    19  H    6.299303   6.988958   7.376066   7.459063   3.601265
    20  H    6.306572   7.106577   7.747330   7.326551   2.392682
    21  H    6.406864   6.579358   6.870850   6.762681   4.301158
    22  H    8.362508   8.790721   9.098369   9.072165   5.340894
    23  H    8.481462   8.998349   9.514199   9.075844   4.684817
    24  H    8.726967   8.958041   9.318682   8.990316   5.623268
    25  H    6.985593   7.397032   8.112188   7.166906   3.210760
    26  H    5.628941   5.818977   6.474489   5.568590   3.048320
    27  H    7.322453   7.393720   7.922020   7.114689   4.503298
    28  H    1.090694   2.112480   3.203141   2.429341   4.618489
    29  C    1.529825   2.509656   2.870010   3.653307   5.601439
    30  H    3.207257   1.880611   2.283662   0.970226   6.438479
    31  H    2.169128   2.760049   2.700206   4.071642   5.985111
    32  H    2.173697   2.771003   3.016445   3.811692   6.526080
    33  H    2.156676   3.451757   3.926432   4.473843   5.302793
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276368   0.000000
    18  H    4.929656   2.454633   0.000000
    19  H    5.402389   4.787075   2.592965   0.000000
    20  H    4.687530   5.499828   3.743790   1.754888   0.000000
    21  H    5.803730   4.709366   2.650273   2.483790   3.042574
    22  H    7.394416   6.632482   4.229316   2.454996   3.116207
    23  H    6.990411   7.261422   5.084562   3.029514   2.585864
    24  H    7.640901   7.186116   4.992914   3.685855   3.771723
    25  H    5.232047   6.433514   4.933854   3.774794   2.592376
    26  H    4.375375   5.026946   3.927746   3.802326   3.129819
    27  H    6.119365   6.370694   4.842097   4.302715   3.774921
    28  H    2.305148   3.771622   5.494640   6.829430   6.566932
    29  C    3.774050   3.052301   5.138319   6.812385   7.044184
    30  H    4.771084   4.260088   6.065971   7.996323   7.954745
    31  H    4.483093   2.496731   4.681718   6.597671   7.098144
    32  H    4.483052   3.953849   6.169813   7.899865   8.091160
    33  H    3.593849   3.571464   5.283178   6.600450   6.753754
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488558   0.000000
    23  H    3.058096   1.765746   0.000000
    24  H    2.492243   1.766627   1.764216   0.000000
    25  H    3.055516   3.797345   2.613355   3.126604   0.000000
    26  H    2.486016   4.327192   3.798872   3.761411   1.765342
    27  H    2.486548   3.757016   3.123016   2.544851   1.765000
    28  H    6.971468   8.888172   8.802795   9.163925   7.093359
    29  C    7.284177   9.037457   9.327446   9.643771   8.130815
    30  H    7.050134   9.448537   9.523880   9.267921   7.625865
    31  H    7.037923   8.765775   9.258809   9.456275   8.289378
    32  H    8.291490  10.108169  10.376588  10.666827   9.073740
    33  H    7.425838   8.945971   9.170393   9.676711   8.091600
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765875   0.000000
    28  H    5.836897   7.583269   0.000000
    29  C    6.867505   8.523358   2.158874   0.000000
    30  H    5.951336   7.360877   3.370116   4.348470   0.000000
    31  H    6.982051   8.534812   3.065650   1.088629   4.612665
    32  H    7.765344   9.438922   2.494116   1.090855   4.422044
    33  H    7.019947   8.688782   2.503343   1.089933   5.261378
                   31         32         33
    31  H    0.000000
    32  H    1.762724   0.000000
    33  H    1.769763   1.772944   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3245287           0.2608361           0.2514997
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.9962246704 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618263817 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.9343982888 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.09D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.98D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               9.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer03_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              10.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.841704982231    
 DIIS: error= 1.91D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.841704982231     IErMin= 1 ErrMin= 1.91D-03
 ErrMax= 1.91D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-03 BMatP= 7.03D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.91D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.91D-02 MaxDP=8.30D+00              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.08D-02    CP:  1.94D+00
 E= -656.847469555108     Delta-E=       -0.005764572877 Rises=F Damp=F
 DIIS: error= 2.92D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.847469555108     IErMin= 2 ErrMin= 2.92D-04
 ErrMax= 2.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 7.03D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.92D-03
 Coeff-Com:  0.112D-01 0.989D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.112D-01 0.989D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.55D-03 MaxDP=3.14D-01 DE=-5.76D-03 OVMax= 3.54D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.21D-04    CP:  1.97D+00  1.04D+00
 E= -656.847379348616     Delta-E=        0.000090206492 Rises=F Damp=F
 DIIS: error= 4.61D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.847469555108     IErMin= 2 ErrMin= 2.92D-04
 ErrMax= 4.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-04 BMatP= 1.13D-04
 IDIUse=3 WtCom= 3.18D-01 WtEn= 6.82D-01
 Coeff-Com: -0.778D-02 0.603D+00 0.405D+00
 Coeff-En:   0.000D+00 0.646D+00 0.354D+00
 Coeff:     -0.247D-02 0.633D+00 0.370D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.47D-04 MaxDP=7.22D-03 DE= 9.02D-05 OVMax= 2.73D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.50D-05    CP:  1.97D+00  1.04D+00  9.12D-01
 E= -656.847564374937     Delta-E=       -0.000185026320 Rises=F Damp=F
 DIIS: error= 3.54D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.847564374937     IErMin= 4 ErrMin= 3.54D-05
 ErrMax= 3.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-06 BMatP= 1.13D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.488D-02 0.259D+00 0.165D+00 0.581D+00
 Coeff:     -0.488D-02 0.259D+00 0.165D+00 0.581D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=6.77D-05 MaxDP=5.27D-03 DE=-1.85D-04 OVMax= 8.66D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.83D-05    CP:  1.97D+00  1.04D+00  8.91D-01  1.21D+00
 E= -656.847566284862     Delta-E=       -0.000001909925 Rises=F Damp=F
 DIIS: error= 2.83D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.847566284862     IErMin= 5 ErrMin= 2.83D-05
 ErrMax= 2.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-06 BMatP= 3.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-02 0.531D-01 0.327D-01 0.400D+00 0.516D+00
 Coeff:     -0.180D-02 0.531D-01 0.327D-01 0.400D+00 0.516D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.21D-05 MaxDP=1.93D-03 DE=-1.91D-06 OVMax= 4.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.10D-05    CP:  1.97D+00  1.04D+00  8.91D-01  1.22D+00  9.75D-01
 E= -656.847567573664     Delta-E=       -0.000001288802 Rises=F Damp=F
 DIIS: error= 6.17D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.847567573664     IErMin= 6 ErrMin= 6.17D-06
 ErrMax= 6.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.89D-08 BMatP= 1.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.548D-03 0.794D-02 0.536D-02 0.179D+00 0.291D+00 0.518D+00
 Coeff:     -0.548D-03 0.794D-02 0.536D-02 0.179D+00 0.291D+00 0.518D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.81D-06 MaxDP=3.21D-04 DE=-1.29D-06 OVMax= 7.70D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.38D-06    CP:  1.97D+00  1.04D+00  8.95D-01  1.21D+00  9.31D-01
                    CP:  1.06D+00
 E= -656.847567659478     Delta-E=       -0.000000085814 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.847567659478     IErMin= 7 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-09 BMatP= 9.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.772D-04-0.147D-02-0.400D-03 0.382D-01 0.745D-01 0.223D+00
 Coeff-Com:  0.666D+00
 Coeff:     -0.772D-04-0.147D-02-0.400D-03 0.382D-01 0.745D-01 0.223D+00
 Coeff:      0.666D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.49D-06 MaxDP=9.55D-05 DE=-8.58D-08 OVMax= 2.21D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.07D-06    CP:  1.97D+00  1.04D+00  8.96D-01  1.21D+00  9.37D-01
                    CP:  1.05D+00  7.97D-01
 E= -656.847567663024     Delta-E=       -0.000000003546 Rises=F Damp=F
 DIIS: error= 5.22D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.847567663024     IErMin= 8 ErrMin= 5.22D-07
 ErrMax= 5.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.27D-10 BMatP= 4.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-04-0.108D-02-0.402D-03 0.104D-01 0.233D-01 0.880D-01
 Coeff-Com:  0.347D+00 0.532D+00
 Coeff:     -0.141D-04-0.108D-02-0.402D-03 0.104D-01 0.233D-01 0.880D-01
 Coeff:      0.347D+00 0.532D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.90D-07 MaxDP=3.50D-05 DE=-3.55D-09 OVMax= 1.27D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.55D-07    CP:  1.97D+00  1.04D+00  8.96D-01  1.22D+00  9.40D-01
                    CP:  1.04D+00  8.39D-01  8.84D-01
 E= -656.847567663600     Delta-E=       -0.000000000576 Rises=F Damp=F
 DIIS: error= 2.13D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.847567663600     IErMin= 9 ErrMin= 2.13D-07
 ErrMax= 2.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.95D-11 BMatP= 5.27D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.431D-05-0.420D-03-0.174D-03 0.345D-03 0.257D-02 0.187D-01
 Coeff-Com:  0.104D+00 0.326D+00 0.549D+00
 Coeff:      0.431D-05-0.420D-03-0.174D-03 0.345D-03 0.257D-02 0.187D-01
 Coeff:      0.104D+00 0.326D+00 0.549D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.89D-07 MaxDP=1.19D-05 DE=-5.76D-10 OVMax= 5.09D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.16D-07    CP:  1.97D+00  1.04D+00  8.96D-01  1.21D+00  9.39D-01
                    CP:  1.04D+00  8.25D-01  9.13D-01  7.94D-01
 E= -656.847567663638     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 5.39D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.847567663638     IErMin=10 ErrMin= 5.39D-08
 ErrMax= 5.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.37D-12 BMatP= 9.95D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.364D-05-0.178D-03-0.730D-04-0.539D-03-0.581D-04 0.502D-02
 Coeff-Com:  0.369D-01 0.151D+00 0.314D+00 0.494D+00
 Coeff:      0.364D-05-0.178D-03-0.730D-04-0.539D-03-0.581D-04 0.502D-02
 Coeff:      0.369D-01 0.151D+00 0.314D+00 0.494D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=5.00D-08 MaxDP=3.17D-06 DE=-3.82D-11 OVMax= 1.03D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.79D-08    CP:  1.97D+00  1.04D+00  8.96D-01  1.21D+00  9.39D-01
                    CP:  1.04D+00  8.26D-01  9.21D-01  8.27D-01  9.26D-01
 E= -656.847567663755     Delta-E=       -0.000000000117 Rises=F Damp=F
 DIIS: error= 9.36D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.847567663755     IErMin=11 ErrMin= 9.36D-09
 ErrMax= 9.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-13 BMatP= 7.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-05-0.302D-04-0.986D-05-0.289D-03-0.289D-03 0.139D-03
 Coeff-Com:  0.495D-02 0.290D-01 0.751D-01 0.209D+00 0.682D+00
 Coeff:      0.101D-05-0.302D-04-0.986D-05-0.289D-03-0.289D-03 0.139D-03
 Coeff:      0.495D-02 0.290D-01 0.751D-01 0.209D+00 0.682D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.74D-08 MaxDP=1.73D-06 DE=-1.17D-10 OVMax= 3.19D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.33D-09    CP:  1.97D+00  1.04D+00  8.96D-01  1.21D+00  9.39D-01
                    CP:  1.04D+00  8.26D-01  9.24D-01  8.33D-01  9.34D-01
                    CP:  8.68D-01
 E= -656.847567663549     Delta-E=        0.000000000206 Rises=F Damp=F
 DIIS: error= 5.83D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.847567663755     IErMin=12 ErrMin= 5.83D-09
 ErrMax= 5.83D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.17D-14 BMatP= 3.11D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.306D-06-0.355D-05 0.595D-06-0.133D-03-0.165D-03-0.339D-03
 Coeff-Com: -0.634D-04 0.482D-02 0.194D-01 0.854D-01 0.425D+00 0.466D+00
 Coeff:      0.306D-06-0.355D-05 0.595D-06-0.133D-03-0.165D-03-0.339D-03
 Coeff:     -0.634D-04 0.482D-02 0.194D-01 0.854D-01 0.425D+00 0.466D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=5.14D-09 MaxDP=3.69D-07 DE= 2.06D-10 OVMax= 1.41D-07

 SCF Done:  E(RB3LYP) =  -656.847567664     A.U. after   12 cycles
            NFock= 12  Conv=0.51D-08     -V/T= 2.0060
 KE= 6.529443550664D+02 PE=-3.473286856937D+03 EE= 1.190560535918D+03
 Leave Link  502 at Wed Sep  8 12:42:11 2021, MaxMem=  6442450944 cpu:            5975.8 elap:             747.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10646356D+03

 Leave Link  801 at Wed Sep  8 12:42:12 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10248 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 5.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 4.91D-01 1.75D-01.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 9.59D-02 1.01D-01.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 1.01D-02 2.49D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 2.10D-03 1.37D-02.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 9.87D-05 2.34D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 5.31D-06 4.73D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 1.69D-07 7.27D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 6.00D-09 1.33D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.29D-10 1.21D-06.
      8 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 2.06D-12 2.07D-07.
      5 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 8.83D-14 2.28D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 3.68D-14 1.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   124 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.227811D+03
      2 -0.108529D+01  0.138235D+03
      3  0.493066D+00  0.513701D-01  0.156697D+03
 Isotropic polarizability for W=    0.088559      174.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.249635D+03  0.384806D+02 -0.805601D+02
      2  -0.137566D+03 -0.532604D+01  0.354239D+02
      3  -0.112069D+03 -0.331546D+02  0.451362D+02
      4  -0.417657D+02  0.583677D+02  0.107246D+02
      5  -0.513449D+02  0.709146D+01  0.963340D+02
      6   0.705241D+01  0.127197D+02 -0.528639D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.768488D+01 -0.235361D+01  0.239149D+02
      2  -0.473579D+02  0.512613D+01  0.445803D+02
      3  -0.107590D+03 -0.320207D+02 -0.207776D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.363313D+01 -0.227042D+02  0.197093D+02
      2  -0.292152D+02  0.367219D+01  0.208403D+03
      3  -0.802463D+02 -0.195933D+03 -0.390548D-01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.615900D+00  0.593796D+01  0.133517D+02
      2   0.593796D+01 -0.396328D+01 -0.158112D+01
      3   0.133517D+02 -0.158112D+01 -0.128914D+01
 OR G Eigenvalues:   -16.0357    -2.2907    13.6899  Iso=     1.5455
 Eigenvectors:
   (1)   0.655442  -0.405809  -0.636957
   (2)   0.137869   0.893497  -0.427382
   (3)   0.742555   0.192307   0.641584
 w=    0.088559 a.u., Optical Rotation Beta=      1.5455 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      379.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.61D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.07D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 4.76D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.92D-02 3.19D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.21D-03 6.84D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 3.41D-05 7.87D-04.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 5.14D-07 8.22D-05.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 5.09D-09 7.15D-06.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 4.48D-11 4.94D-07.
     29 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 2.09D-13 3.57D-08.
     10 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 7.34D-15 7.38D-09.
      3 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 3.11D-15 4.90D-09.
      3 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 5.49D-15 4.90D-09.
      3 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 6.31D-14 2.07D-08.
      3 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 9.13D-15 5.54D-09.
      3 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 2.25D-14 9.66D-09.
      3 vectors produced by pass 14 Test12= 7.00D-14 2.78D-09 XBig12= 2.98D-14 1.53D-08.
      3 vectors produced by pass 15 Test12= 7.00D-14 2.78D-09 XBig12= 2.32D-14 1.16D-08.
      3 vectors produced by pass 16 Test12= 7.00D-14 2.78D-09 XBig12= 3.24D-14 1.59D-08.
      3 vectors produced by pass 17 Test12= 7.00D-14 2.78D-09 XBig12= 3.15D-14 1.58D-08.
      3 vectors produced by pass 18 Test12= 7.00D-14 2.78D-09 XBig12= 3.51D-14 1.31D-08.
      3 vectors produced by pass 19 Test12= 7.00D-14 2.78D-09 XBig12= 2.05D-14 7.71D-09.
      3 vectors produced by pass 20 Test12= 7.00D-14 2.78D-09 XBig12= 3.91D-14 1.16D-08.
      3 vectors produced by pass 21 Test12= 7.00D-14 2.78D-09 XBig12= 1.22D-14 7.05D-09.
      3 vectors produced by pass 22 Test12= 7.00D-14 2.78D-09 XBig12= 2.33D-14 8.34D-09.
      3 vectors produced by pass 23 Test12= 7.00D-14 2.78D-09 XBig12= 2.19D-14 7.62D-09.
      3 vectors produced by pass 24 Test12= 7.00D-14 2.78D-09 XBig12= 4.15D-14 1.04D-08.
      2 vectors produced by pass 25 Test12= 7.00D-14 2.78D-09 XBig12= 9.63D-15 5.46D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   299 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.80D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.80D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.23D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.227811D+03 -0.108529D+01  0.493066D+00
      2  -0.108529D+01  0.138235D+03  0.513701D-01
      3   0.493066D+00  0.513701D-01  0.156697D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.768488D+01 -0.235361D+01  0.239149D+02
      2  -0.473579D+02  0.512613D+01  0.445803D+02
      3  -0.107590D+03 -0.320207D+02 -0.207776D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.249635D+03  0.384806D+02 -0.805601D+02
      2  -0.137566D+03 -0.532604D+01  0.354239D+02
      3  -0.112069D+03 -0.331546D+02  0.451362D+02
      4  -0.417657D+02  0.583677D+02  0.107246D+02
      5  -0.513449D+02  0.709146D+01  0.963340D+02
      6   0.705241D+01  0.127197D+02 -0.528639D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133086D+02  0.901449D+00  0.105382D+00  0.188821D+01  0.223849D+01
      2   0.901449D+00  0.173003D+01 -0.127288D+00  0.223849D+01 -0.181896D+01
      3   0.105382D+00 -0.127288D+00  0.380448D+01  0.866382D+00  0.351081D+01
                 6             7             8             9            10 
      1   0.866382D+00  0.161069D+02  0.661016D+00 -0.167194D+01  0.345365D+02
      2   0.351081D+01  0.661016D+00  0.162648D+01  0.388047D+00  0.107207D+01
      3  -0.405795D+00 -0.167194D+01  0.388047D+00  0.184338D+00 -0.160727D+01
                11            12            13            14            15 
      1   0.107207D+01 -0.160727D+01 -0.177706D+01  0.499237D+01  0.453671D+00
      2   0.162217D+01 -0.294546D+00  0.499237D+01 -0.990816D+00 -0.197208D+00
      3  -0.294546D+00  0.346951D+01  0.453671D+00 -0.197208D+00 -0.870428D+00
                16            17            18            19            20 
      1  -0.438867D+01  0.483307D+00  0.107418D+01  0.157610D+02 -0.779179D+00
      2   0.483307D+00 -0.506915D+00 -0.788168D+00 -0.779179D+00 -0.179408D+01
      3   0.107418D+01 -0.788168D+00  0.879546D+00 -0.281842D+00  0.113258D+01
                21            22            23            24            25 
      1  -0.281842D+00 -0.242034D+00 -0.234451D+01  0.600764D+00  0.140972D+02
      2   0.113258D+01 -0.234451D+01 -0.358983D+00  0.359067D+01 -0.115694D+01
      3  -0.308602D+01  0.600764D+00  0.359067D+01  0.510832D+00  0.153838D+01
                26            27            28            29            30 
      1  -0.115694D+01  0.153838D+01 -0.328895D+02  0.307492D-01  0.344435D+00
      2   0.247379D+01  0.140384D+00  0.307492D-01 -0.171721D+01 -0.653488D-02
      3   0.140384D+00  0.739536D+00  0.344435D+00 -0.653488D-02 -0.286216D+01
                31            32            33            34            35 
      1   0.266154D+01 -0.533757D+01 -0.469000D-01  0.155964D+01 -0.214017D+00
      2  -0.533757D+01  0.678617D+00 -0.951164D-01 -0.214017D+00 -0.821054D+00
      3  -0.469000D-01 -0.951164D-01  0.286772D+00 -0.723114D+00 -0.283981D+00
                36            37            38            39            40 
      1  -0.723114D+00  0.110144D+02 -0.430774D+00 -0.354026D+00  0.718753D+00
      2  -0.283981D+00 -0.430774D+00 -0.172883D+01 -0.854477D+00 -0.164022D+01
      3   0.101014D+01 -0.354026D+00 -0.854477D+00 -0.306613D+01 -0.465756D+00
                41            42            43            44            45 
      1  -0.164022D+01 -0.465756D+00 -0.159909D+02  0.735597D+00  0.444409D+00
      2   0.758220D+00 -0.304318D+01  0.735597D+00 -0.163997D+01 -0.147944D+00
      3  -0.304318D+01  0.439864D-01  0.444409D+00 -0.147944D+00 -0.108983D+01
                46            47            48            49            50 
      1  -0.124861D+02  0.242395D+00  0.416935D+00  0.207671D+01  0.142223D+01
      2   0.242395D+00  0.148451D+01  0.139981D+00  0.142223D+01 -0.500697D+00
      3   0.416935D+00  0.139981D+00  0.178473D+01 -0.764289D+00 -0.347766D+01
                51            52            53            54            55 
      1  -0.764289D+00 -0.126908D+02 -0.345434D+00 -0.646329D+00 -0.176731D+02
      2  -0.347766D+01 -0.345434D+00 -0.189211D+01  0.361378D-01 -0.209142D+01
      3  -0.812090D+00 -0.646329D+00  0.361378D-01 -0.929716D+00  0.620647D+00
                56            57            58            59            60 
      1  -0.209142D+01  0.620647D+00 -0.944520D+01 -0.760942D+01  0.516406D+00
      2  -0.311730D+01  0.331903D+00 -0.760942D+01  0.189437D+00  0.162881D+01
      3   0.331903D+00 -0.206486D+01  0.516406D+00  0.162881D+01  0.307124D+01
                61            62            63            64            65 
      1   0.584727D+01  0.593848D+00 -0.421523D+01  0.148110D+00  0.263060D+01
      2   0.593848D+00  0.234678D+01  0.428588D+01  0.263060D+01  0.385346D+01
      3  -0.421523D+01  0.428588D+01 -0.104376D+01  0.298852D+01 -0.936291D+00
                66            67            68            69            70 
      1   0.298852D+01  0.145067D+02  0.735354D+01 -0.215121D+01  0.344588D+00
      2  -0.936291D+00  0.735354D+01  0.111634D+01 -0.210538D+01 -0.128073D+01
      3   0.262124D+01 -0.215121D+01 -0.210538D+01 -0.372530D+01  0.411269D+01
                71            72            73            74            75 
      1  -0.128073D+01  0.411269D+01  0.526930D+01 -0.154691D+01 -0.253581D+01
      2  -0.268731D+01 -0.419096D+01 -0.154691D+01 -0.341813D+01  0.120328D+01
      3  -0.419096D+01  0.326831D+01 -0.253581D+01  0.120328D+01 -0.227595D+01
                76            77            78            79            80 
      1  -0.460049D+01 -0.615225D+01  0.163376D+01 -0.236705D+01  0.131087D+01
      2  -0.615225D+01 -0.219153D+01  0.331421D+01  0.131087D+01  0.293425D+01
      3   0.163376D+01  0.331421D+01  0.369756D+01 -0.413342D+01  0.396870D+01
                81            82            83            84            85 
      1  -0.413342D+01  0.578135D+01 -0.277153D+01 -0.210620D+01 -0.421722D+01
      2   0.396870D+01 -0.277153D+01 -0.337703D+01  0.887625D+00 -0.440397D+01
      3  -0.165884D-01 -0.210620D+01  0.887625D+00 -0.209417D+01  0.144751D+01
                86            87            88            89            90 
      1  -0.440397D+01  0.144751D+01 -0.138693D+01  0.122366D+01 -0.279440D+01
      2  -0.410833D+01  0.209981D+01  0.122366D+01  0.361259D+01  0.279955D+01
      3   0.209981D+01  0.321737D+01 -0.279440D+01  0.279955D+01 -0.322325D+01
                91            92            93            94            95 
      1   0.679199D+01  0.235233D+01 -0.203113D+00 -0.222134D+00  0.764219D+01
      2   0.235233D+01  0.303332D+01  0.857772D+00  0.764219D+01 -0.302009D+01
      3  -0.203113D+00  0.857772D+00  0.100585D+01  0.504309D+00  0.160909D+01
                96            97            98            99           100 
      1   0.504309D+00  0.447640D+01  0.560449D+00  0.155071D+01  0.283287D+01
      2   0.160909D+01  0.560449D+00  0.398877D+01 -0.319391D+00 -0.136355D+01
      3  -0.235654D+00  0.155071D+01 -0.319391D+00 -0.500250D+01  0.219577D+01
               101           102           103           104           105 
      1  -0.136355D+01  0.219577D+01 -0.106978D+01 -0.220247D+01 -0.321892D+00
      2  -0.421669D+00 -0.758490D+00 -0.220247D+01  0.457708D+01 -0.225547D+01
      3  -0.758490D+00  0.870900D+00 -0.321892D+00 -0.225547D+01 -0.780999D-01
               106           107           108           109           110 
      1   0.430940D+01 -0.219771D+01  0.253735D+01 -0.526164D+01  0.112998D+01
      2  -0.219771D+01 -0.399207D+00 -0.186066D+01  0.112998D+01 -0.950527D+00
      3   0.253735D+01 -0.186066D+01  0.463751D+01 -0.405109D+01  0.540439D+00
               111           112           113           114           115 
      1  -0.405109D+01  0.101446D+01 -0.123136D+01  0.702300D+00 -0.105970D+02
      2   0.540439D+00 -0.123136D+01  0.408008D-01 -0.159904D+01  0.312234D+01
      3  -0.213992D+01  0.702300D+00 -0.159904D+01  0.840775D+00 -0.475413D+01
               116           117           118           119           120 
      1   0.312234D+01 -0.475413D+01  0.759264D+00  0.428795D+00  0.125354D+01
      2  -0.388281D+01  0.181474D+01  0.428795D+00  0.229545D+01 -0.201304D+00
      3   0.181474D+01 -0.930714D+01  0.125354D+01 -0.201304D+00  0.116835D+00
               121           122           123           124           125 
      1   0.193802D+01  0.176217D+01 -0.610551D+00  0.411905D+01 -0.234772D+01
      2   0.176217D+01 -0.494642D+01  0.315191D+01 -0.234772D+01  0.590741D+01
      3  -0.610551D+00  0.315191D+01  0.182033D+00 -0.531473D+00  0.204297D+01
               126           127           128           129           130 
      1  -0.531473D+00  0.334755D+01 -0.414228D+00  0.277998D+01 -0.137037D+01
      2   0.204297D+01 -0.414228D+00  0.373258D+00 -0.545237D+00  0.232834D+00
      3   0.309230D+01  0.277998D+01 -0.545237D+00  0.287001D+01 -0.579650D+00
               131           132           133           134           135 
      1   0.232834D+00 -0.579650D+00  0.296834D+01 -0.514849D+00  0.350448D+01
      2  -0.193849D+00  0.187921D+00 -0.514849D+00  0.841140D+00 -0.105624D+01
      3   0.187921D+00 -0.666072D+00  0.350448D+01 -0.105624D+01  0.671738D+01
               136           137           138           139           140 
      1  -0.219847D+01 -0.969576D-01  0.234642D+01  0.158804D+00  0.681791D-01
      2  -0.969576D-01 -0.109950D+00  0.743880D-01  0.681791D-01 -0.433344D-01
      3   0.234642D+01  0.743880D-01 -0.260261D+01 -0.102875D+00  0.810446D-01
               141           142           143           144           145 
      1  -0.102875D+00  0.218322D+01  0.277149D+00 -0.319834D+01 -0.347429D+01
      2   0.810446D-01  0.277149D+00  0.738402D+00 -0.570706D+00  0.450297D+00
      3  -0.276942D+00 -0.319834D+01 -0.570706D+00  0.864373D+01 -0.207697D+01
               146           147           148           149           150 
      1   0.450297D+00 -0.207697D+01  0.796529D+00 -0.147172D+00  0.482298D+00
      2  -0.401747D+00  0.221963D+00 -0.147172D+00  0.161180D+00 -0.145909D+00
      3   0.221963D+00 -0.199356D+01  0.482298D+00 -0.145909D+00  0.521789D+00
               151           152           153           154           155 
      1  -0.264057D+01  0.256511D+00 -0.297472D+01  0.226683D+01  0.495456D-01
      2   0.256511D+00 -0.741621D+00  0.416113D+00  0.495456D-01  0.131689D+00
      3  -0.297472D+01  0.416113D+00 -0.559497D+01 -0.218802D+01  0.171819D+00
               156           157           158           159           160 
      1  -0.218802D+01 -0.296983D+00 -0.397528D-01  0.141649D+00 -0.248582D+01
      2   0.171819D+00 -0.397528D-01 -0.655184D-01 -0.102720D+00 -0.882404D-01
      3   0.229699D+01  0.141649D+00 -0.102720D+00  0.142031D+00  0.316504D+01
               161           162           163           164           165 
      1  -0.882404D-01  0.316504D+01  0.286542D+01 -0.116087D+01 -0.141967D+01
      2  -0.688815D+00 -0.170041D+00 -0.116087D+01  0.145108D+01  0.579544D+00
      3  -0.170041D+00 -0.796543D+01 -0.141967D+01  0.579544D+00  0.708226D+00
               166           167           168           169           170 
      1  -0.154211D+01  0.263012D+01  0.105457D+01 -0.685937D+01  0.109652D+01
      2   0.263012D+01 -0.425682D+01 -0.239151D+01  0.109652D+01 -0.336684D+01
      3   0.105457D+01 -0.239151D+01 -0.189332D+01  0.258245D+01 -0.274027D+01
               171           172           173           174           175 
      1   0.258245D+01  0.257748D+01 -0.920058D+00  0.167024D+01  0.432379D-02
      2  -0.274027D+01 -0.920058D+00  0.147005D+01 -0.732150D+00  0.166035D+01
      3  -0.303767D+01  0.167024D+01 -0.732150D+00  0.127273D+01 -0.594753D+00
               176           177           178           179           180 
      1   0.166035D+01 -0.594753D+00  0.469348D+01 -0.898372D+00  0.202091D+01
      2  -0.189617D+01  0.109976D+01 -0.898372D+00  0.205349D+01 -0.216725D+01
      3   0.109976D+01 -0.113349D+01  0.202091D+01 -0.216725D+01  0.350671D+01
               181           182           183           184           185 
      1  -0.187998D+01 -0.183375D+00 -0.164385D+01 -0.672615D+00 -0.952032D+00
      2  -0.183375D+00 -0.122139D+01  0.471311D+00 -0.952032D+00  0.139750D+01
      3  -0.164385D+01  0.471311D+00 -0.146942D+01  0.377264D+00 -0.108216D+01
               186           187           188           189           190 
      1   0.377264D+00 -0.286589D+01  0.235485D+00 -0.111791D+01  0.873001D+00
      2  -0.108216D+01  0.235485D+00 -0.141724D+01  0.188021D+01 -0.905509D+00
      3   0.209954D+01 -0.111791D+01  0.188021D+01 -0.537408D+01 -0.956489D+00
               191           192           193           194           195 
      1  -0.905509D+00 -0.956489D+00 -0.244032D+01  0.200917D+01  0.139608D+01
      2   0.753848D+00  0.402929D+00  0.200917D+01 -0.294454D+01 -0.259227D+01
      3   0.402929D+00  0.103781D+01  0.139608D+01 -0.259227D+01 -0.302061D+01
               196           197           198           199           200 
      1  -0.267025D+01  0.102224D+01  0.277018D+01  0.356917D+01 -0.804965D+00
      2   0.102224D+01 -0.265726D+01 -0.272328D+01 -0.804965D+00  0.108454D+01
      3   0.277018D+01 -0.272328D+01 -0.485559D+01  0.181406D+01 -0.611380D+00
               201           202           203           204           205 
      1   0.181406D+01 -0.175109D+01  0.178033D+01 -0.818660D+00  0.494346D+01
      2  -0.611380D+00  0.178033D+01 -0.111018D+01  0.646575D+00 -0.108996D+01
      3   0.168277D+01 -0.818660D+00  0.646575D+00 -0.145365D+01  0.276721D+01
               206           207           208           209           210 
      1  -0.108996D+01  0.276721D+01  0.427416D+01  0.274643D+01 -0.966022D+00
      2   0.126717D+01 -0.141369D+01  0.274643D+01  0.236521D+01 -0.797563D+00
      3  -0.141369D+01  0.365961D+01 -0.966022D+00 -0.797563D+00  0.898735D+00
               211           212           213           214           215 
      1   0.672294D+01  0.463537D+01 -0.178786D+01 -0.138279D+01 -0.105917D+01
      2   0.463537D+01  0.551675D+01 -0.167445D+01 -0.105917D+01 -0.138985D+01
      3  -0.178786D+01 -0.167445D+01  0.124030D+01  0.181390D+01  0.764886D+00
               216           217           218           219           220 
      1   0.181390D+01  0.134300D+01  0.210202D+00  0.181549D+01 -0.627210D+00
      2   0.764886D+00  0.210202D+00  0.102380D+01 -0.212197D-01  0.621705D+00
      3  -0.114766D+01  0.181549D+01 -0.212197D-01  0.231880D+01 -0.658089D+00
               221           222           223           224           225 
      1   0.621705D+00 -0.658089D+00  0.230149D+01  0.421005D-01  0.226206D+01
      2  -0.250185D+00  0.604353D+00  0.421005D-01  0.112814D+01 -0.140688D+00
      3   0.604353D+00 -0.184423D+01  0.226206D+01 -0.140688D+00  0.629203D+01
               226           227           228           229           230 
      1  -0.862904D+01  0.613839D+00  0.115273D+01  0.212537D+00 -0.116426D+01
      2   0.613839D+00 -0.206988D+01 -0.854426D+00 -0.116426D+01  0.123395D+01
      3   0.115273D+01 -0.854426D+00 -0.104105D+01 -0.522143D+00  0.656912D-01
               231           232           233           234           235 
      1  -0.522143D+00  0.111045D+01 -0.337861D+00 -0.442514D+00  0.232637D+01
      2   0.656912D-01 -0.337861D+00 -0.608780D-01  0.223502D+00  0.282379D+01
      3   0.100747D+00 -0.442514D+00  0.223502D+00  0.101225D+01  0.145531D+00
               236           237           238           239           240 
      1   0.282379D+01  0.145531D+00  0.290559D+01  0.405715D+01 -0.687701D-01
      2   0.336027D+01  0.847266D-01  0.405715D+01  0.880739D+01 -0.118111D+00
      3   0.847266D-01  0.773062D+00 -0.687701D-01 -0.118111D+00  0.737608D+00
               241           242           243           244           245 
      1  -0.103211D+01 -0.846537D+00  0.831760D+00  0.273119D+00 -0.463495D+00
      2  -0.846537D+00 -0.188596D+01  0.712700D+00 -0.463495D+00 -0.529699D+00
      3   0.831760D+00  0.712700D+00 -0.167940D+00  0.165176D+01 -0.108956D+00
               246           247           248           249           250 
      1   0.165176D+01 -0.474679D+00 -0.102739D+01 -0.103159D+00  0.298571D+01
      2  -0.108956D+00 -0.102739D+01  0.240887D+00  0.769498D+00 -0.923514D-02
      3  -0.124838D+01 -0.103159D+00  0.769498D+00 -0.941030D-02 -0.210930D+01
               251           252           253           254           255 
      1  -0.923514D-02 -0.210930D+01  0.949130D+01 -0.529697D+00 -0.133221D+01
      2   0.115769D+01 -0.950280D-03 -0.529697D+00 -0.410591D+01 -0.100701D+00
      3  -0.950280D-03  0.648670D+01 -0.133221D+01 -0.100701D+00 -0.113807D+01
               256           257           258           259           260 
      1  -0.722775D+01 -0.482381D+01 -0.723373D+00 -0.500340D+01 -0.951699D+00
      2  -0.482381D+01  0.170575D+01 -0.263736D+01 -0.951699D+00 -0.387034D+01
      3  -0.723373D+00 -0.263736D+01  0.327831D+00 -0.133030D+01  0.121528D+01
               261           262           263           264           265 
      1  -0.133030D+01 -0.118680D+01  0.175853D+01  0.985895D-01  0.164187D+01
      2   0.121528D+01  0.175853D+01 -0.241771D+01  0.119759D-01 -0.324971D+01
      3   0.403329D+01  0.985895D-01  0.119759D-01 -0.312224D+00  0.127129D+00
               266           267           268           269           270 
      1  -0.324971D+01  0.127129D+00 -0.816857D+00  0.150578D+01 -0.485204D+00
      2   0.104975D+02 -0.251203D+00  0.150578D+01 -0.416505D+01  0.122478D+01
      3  -0.251203D+00  0.132619D+01 -0.485204D+00  0.122478D+01 -0.338881D+00
               271           272           273           274           275 
      1  -0.435765D+00  0.947301D-01 -0.591827D+00  0.607766D+00  0.233641D+00
      2   0.947301D-01  0.640185D+00  0.179753D+00  0.233641D+00 -0.555670D+00
      3  -0.591827D+00  0.179753D+00  0.360937D+00 -0.358389D-01 -0.572859D+00
               276           277           278           279           280 
      1  -0.358389D-01 -0.222077D+01 -0.592556D+00 -0.505013D+00 -0.165800D+02
      2  -0.572859D+00 -0.592556D+00 -0.180198D+01 -0.144561D+01 -0.235163D+01
      3  -0.726190D+00 -0.505013D+00 -0.144561D+01 -0.585877D+01  0.408118D+00
               281           282           283           284           285 
      1  -0.235163D+01  0.408118D+00  0.121371D+01 -0.973934D+00  0.652549D-01
      2  -0.157056D+01 -0.612003D-01 -0.973934D+00 -0.279075D+00  0.286080D+00
      3  -0.612003D-01 -0.939807D+00  0.652549D-01  0.286080D+00  0.967703D-01
               286           287           288           289           290 
      1   0.195250D+01  0.430853D+00 -0.131748D+01 -0.989605D-01 -0.721573D+00
      2   0.430853D+00  0.639518D+00 -0.321029D+00 -0.721573D+00  0.227875D+01
      3  -0.131748D+01 -0.321029D+00 -0.138668D-01  0.506274D+00 -0.280222D+00
               291           292           293           294           295 
      1   0.506274D+00 -0.109139D+01 -0.400159D-01 -0.135791D-01  0.140022D+01
      2  -0.280222D+00 -0.400159D-01 -0.739026D+01  0.169537D+01  0.373312D+00
      3   0.440705D+00 -0.135791D-01  0.169537D+01 -0.129208D+01 -0.248740D-01
               296           297 
      1   0.373312D+00 -0.248740D-01
      2   0.315961D+01 -0.157303D+01
      3  -0.157303D+01  0.804249D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.338779D+01  0.299070D+01  0.234207D+01  0.977076D+01  0.176259D+01
      2   0.566734D+01 -0.168586D+01  0.366990D+01 -0.212219D+01 -0.114933D+01
      3   0.166073D+02 -0.247932D+01 -0.906478D+00  0.108726D+02 -0.282062D-01
                 6             7             8             9            10 
      1  -0.216259D+01 -0.149994D+01  0.319551D+01  0.372068D+00 -0.508819D+01
      2  -0.416790D+00 -0.916335D+01  0.254063D+00 -0.328588D+00 -0.176309D+02
      3  -0.486897D+01 -0.158370D+02 -0.247060D+01  0.139135D+01 -0.331710D+02
                11            12            13            14            15 
      1  -0.788365D+00  0.183779D+01  0.170834D+01  0.419631D+00 -0.105742D+02
      2   0.278439D+00 -0.325074D+01  0.237049D+01 -0.193672D+01 -0.198723D+00
      3   0.283600D+00  0.438397D+00  0.119489D+02 -0.204959D+01  0.681074D-02
                16            17            18            19            20 
      1  -0.324723D+01 -0.373255D+01 -0.783157D+00 -0.391813D+01 -0.150937D+01
      2  -0.272446D+02 -0.324479D+01 -0.325231D+01 -0.722633D+01  0.202924D+00
      3   0.376720D+01  0.538479D+00 -0.741502D+00 -0.160480D+02  0.855221D+00
                21            22            23            24            25 
      1  -0.135972D+01 -0.594902D+01  0.249115D+01  0.682919D+00 -0.243706D+00
      2   0.780809D+01 -0.244044D+01  0.111414D+01 -0.114096D+01 -0.113028D+02
      3  -0.740190D-01  0.100352D+02  0.124243D+01  0.304927D+01 -0.143885D+02
                26            27            28            29            30 
      1   0.402866D+01  0.110498D+01  0.233992D+01 -0.433413D+00 -0.295001D+01
      2   0.767208D+00  0.170916D+01  0.137448D+02  0.105138D+01 -0.455447D+01
      3   0.520436D+01 -0.221322D+01  0.311183D+02 -0.110590D+01 -0.880124D+00
                31            32            33            34            35 
      1  -0.353013D+01  0.146698D+01 -0.103273D+02 -0.509102D+01 -0.247534D+01
      2  -0.101813D+00  0.280023D+01  0.115889D+01 -0.305115D+02  0.201412D+01
      3   0.874632D+01  0.446158D+01 -0.287704D+00 -0.703978D+00 -0.448000D+01
                36            37            38            39            40 
      1  -0.127037D+00 -0.169929D+01  0.137782D+01 -0.153069D+01  0.725154D+01
      2  -0.267705D+00 -0.130649D+02 -0.126293D+01  0.565035D+01 -0.627100D+00
      3   0.404912D+01 -0.123565D+02 -0.238628D+00  0.122437D+01  0.134887D+02
                41            42            43            44            45 
      1  -0.264485D+01 -0.290961D+01  0.381311D+01  0.180501D+01 -0.127880D+01
      2  -0.160579D+01  0.437551D+00  0.705379D+01 -0.230438D+00 -0.367521D+01
      3   0.160135D+00 -0.366330D+01  0.166014D+02 -0.265503D+01 -0.195315D+01
                46            47            48            49            50 
      1   0.352075D+01 -0.173024D+01  0.180938D+01 -0.715039D+01 -0.173410D+01
      2   0.146828D+02  0.414319D+00  0.103454D+02 -0.150448D+01  0.743253D+00
      3   0.171557D+02 -0.121009D+01  0.120028D+01  0.128830D+02 -0.715349D+00
                51            52            53            54            55 
      1  -0.235590D+01  0.160965D+01  0.320922D+01 -0.324673D+00  0.428202D+01
      2  -0.207550D+01  0.469361D+01 -0.764622D-01  0.563338D+01  0.336027D+01
      3   0.362474D+01  0.137267D+02  0.111669D+01  0.133080D+01  0.180445D+02
                56            57            58            59            60 
      1   0.192107D+01 -0.105039D+01  0.564540D+01  0.443054D+01  0.202383D+01
      2  -0.641880D-01 -0.405826D+01  0.145470D+01  0.631695D+01  0.143189D+02
      3   0.820627D+01 -0.760338D+00  0.405742D+02  0.786245D+01 -0.543442D+01
                61            62            63            64            65 
      1  -0.178029D+01  0.696705D+01 -0.171297D+01 -0.518177D+01 -0.109248D+01
      2  -0.253006D+02  0.158927D+02 -0.630636D+01  0.913839D+01 -0.308961D+01
      3  -0.905418D+01 -0.738414D+01 -0.104232D+02 -0.193172D+02 -0.197416D+02
                66            67            68            69            70 
      1  -0.154640D+01 -0.303112D+01 -0.787854D+00  0.324236D+00  0.197407D+01
      2   0.153248D+02 -0.871901D+01 -0.722722D+01 -0.193528D+02  0.137844D+02
      3   0.540512D+01 -0.339249D+02 -0.558223D+01  0.671488D+01  0.109280D+02
                71            72            73            74            75 
      1   0.731281D+01 -0.724340D+00  0.163390D+01  0.215360D+01 -0.481024D+00
      2  -0.184608D+02  0.171736D+02 -0.933501D+01  0.546138D+01 -0.139006D+02
      3   0.997231D+01  0.178462D+02  0.893398D+01  0.177235D+02 -0.706935D+01
                76            77            78            79            80 
      1   0.415768D+01  0.791466D+00 -0.519558D+01  0.293891D-01 -0.183280D+01
      2   0.676494D+01  0.145554D+02  0.237641D+02 -0.302736D+02  0.233410D+02
      3   0.394173D+02  0.110525D+02 -0.189286D+02 -0.713562D+01 -0.164139D+02
                81            82            83            84            85 
      1  -0.255278D+01  0.354343D+01 -0.483552D+01  0.498645D+01 -0.670029D+01
      2  -0.141785D+01 -0.155799D+02  0.699433D+01 -0.258038D+01  0.901272D+01
      3  -0.226185D+02  0.238787D+02  0.515256D+01 -0.825893D+01  0.142292D+02
                86            87            88            89            90 
      1  -0.105353D+02 -0.711373D+01  0.645289D+01 -0.743150D+00  0.929880D+01
      2   0.106880D+02  0.105943D+02 -0.922074D+01  0.910565D+01 -0.105811D+02
      3   0.853933D+01 -0.595270D+01 -0.931184D+01 -0.109040D+02 -0.135823D+02
                91            92            93            94            95 
      1   0.281095D+00  0.111631D+01  0.218060D+01  0.201655D+01 -0.862876D+00
      2  -0.638554D+01 -0.355232D+01  0.745343D+00  0.167757D+01 -0.101171D+02
      3  -0.347858D+01  0.474133D+01  0.301557D+01  0.388049D+02 -0.151560D+02
                96            97            98            99           100 
      1  -0.324323D+01  0.244043D+01  0.535183D+01 -0.186315D+01 -0.589604D+00
      2   0.222402D+00 -0.176601D+02  0.210675D+01  0.179904D+02  0.628544D+01
      3   0.608814D+01 -0.299301D+01  0.122282D+02 -0.254710D+01  0.142093D+02
               101           102           103           104           105 
      1  -0.674099D+01 -0.387856D+01 -0.115029D+01  0.189645D+00  0.163138D+01
      2   0.240233D+00  0.384131D+01 -0.292495D+01  0.100787D+02  0.603943D+01
      3  -0.172182D+02 -0.216240D+01 -0.107609D+02  0.864940D+01 -0.498412D+01
               106           107           108           109           110 
      1  -0.734106D+01 -0.207460D+01 -0.467551D+01  0.425046D+01  0.380662D+01
      2  -0.797746D+01  0.747866D+01 -0.249297D+02  0.830897D+01 -0.122398D+01
      3  -0.970824D+01  0.833725D+01 -0.529466D+01 -0.360646D+01 -0.331481D+01
               111           112           113           114           115 
      1   0.305683D+01  0.641436D+00  0.341945D+00 -0.381898D+01  0.417100D+01
      2   0.880443D+01  0.528196D+00  0.527133D+01 -0.524586D+01  0.919077D+01
      3  -0.625012D+00 -0.146562D+01  0.224984D+01 -0.584256D+01  0.149412D+02
               116           117           118           119           120 
      1   0.895415D+01  0.112878D+02 -0.379728D+01  0.229343D+01 -0.444847D+00
      2  -0.542029D+01  0.370582D+02 -0.597554D+01  0.145322D+01  0.120338D+01
      3  -0.191701D+02  0.551181D+01 -0.463330D+00  0.815748D+01  0.167470D+01
               121           122           123           124           125 
      1  -0.191931D+00 -0.409106D+01 -0.368373D+01 -0.218697D+01  0.652200D+01
      2  -0.106754D+01 -0.112144D+02 -0.171697D+01 -0.150459D+01 -0.603067D+01
      3   0.732001D+01 -0.120765D+02  0.991378D+01 -0.544043D+01  0.179140D+02
               126           127           128           129           130 
      1  -0.824875D+01  0.225360D+01  0.191347D+01  0.202653D+01 -0.939184D+00
      2  -0.103906D+02 -0.600597D+01 -0.105940D+00 -0.956672D+00  0.178196D+01
      3   0.694556D+01 -0.314312D+01 -0.149303D+01 -0.194284D+01  0.304978D+01
               131           132           133           134           135 
      1  -0.718646D-01 -0.214724D+01  0.275791D+01  0.281862D+01  0.488874D+01
      2  -0.185652D+00 -0.194195D+00 -0.417478D+01 -0.472967D-01  0.131049D+01
      3   0.120628D+00  0.277372D+00 -0.286891D+01 -0.187674D+01 -0.212732D+01
               136           137           138           139           140 
      1   0.181870D+01 -0.156084D+01 -0.201281D+01  0.452383D+00  0.120721D+00
      2   0.489366D+01  0.345069D-01 -0.136533D+01 -0.489493D+00 -0.136600D+00
      3   0.146986D+01 -0.684691D+00 -0.164737D+01  0.117869D+01  0.345133D-01
               141           142           143           144           145 
      1  -0.207835D+01 -0.202624D+01  0.376624D+01  0.537645D+01 -0.234104D+01
      2   0.493476D+00 -0.477062D+01 -0.252090D+00 -0.992991D+00 -0.767865D+01
      3  -0.168719D-01 -0.138374D+01  0.164186D+01  0.202907D+01  0.240935D+01
               146           147           148           149           150 
      1   0.251926D+01 -0.145968D+01  0.408476D+00 -0.453288D+00 -0.120490D+01
      2   0.954608D+00 -0.119596D+01  0.737408D+00 -0.377029D-01  0.302473D+00
      3  -0.144841D+01  0.147653D+01  0.324734D+00  0.565082D+00 -0.246124D+00
               151           152           153           154           155 
      1  -0.213298D+01  0.351664D+01 -0.344717D+01 -0.213475D+01 -0.149186D+01
      2  -0.440530D+01  0.307255D+00  0.114239D+01  0.495199D+01  0.425376D+00
      3   0.158043D+01 -0.236539D+01  0.203899D+01 -0.133995D+01 -0.808126D+00
               156           157           158           159           160 
      1   0.137924D+01  0.296655D+00 -0.109907D+00 -0.191148D+01  0.278631D+01
      2  -0.900098D+00 -0.198524D+00 -0.312633D+00 -0.138733D+00 -0.454902D+01
      3   0.127998D+01  0.173895D+01  0.235026D+00 -0.115001D-01  0.205610D+01
               161           162           163           164           165 
      1   0.377173D+01 -0.544027D+01 -0.967596D+00 -0.849834D-01  0.135157D+01
      2  -0.337189D+00 -0.238812D+01 -0.531963D+01  0.171947D+01  0.436968D+01
      3   0.195432D+01 -0.186416D+01 -0.343479D+00 -0.480466D+01 -0.240402D+00
               166           167           168           169           170 
      1   0.533715D+00 -0.127276D+01 -0.364019D+01  0.280978D+01 -0.100531D+01
      2   0.292083D+01 -0.851400D+01 -0.741962D+01  0.688686D+01 -0.102880D+02
      3  -0.405550D+01  0.104922D+02  0.548457D+01  0.417285D+01  0.998224D+01
               171           172           173           174           175 
      1  -0.398949D+01  0.165662D+01 -0.238761D+00  0.192503D+01 -0.146772D+01
      2  -0.992553D+01  0.655937D+01 -0.269276D+01  0.641371D+01 -0.173141D+01
      3   0.562212D+01 -0.126527D+00 -0.527455D+01  0.788894D+00 -0.250987D+01
               176           177           178           179           180 
      1   0.824156D+00 -0.319497D+01  0.196886D+01 -0.516496D+00  0.517486D+01
      2   0.322245D+01 -0.458597D+01  0.303797D+01 -0.783240D+01  0.131325D+02
      3   0.416725D+01 -0.215476D+01 -0.262412D+01 -0.630842D+01  0.432634D+01
               181           182           183           184           185 
      1   0.290513D+01  0.158923D+01  0.145071D+01  0.601693D+00 -0.548899D+00
      2  -0.108200D+02  0.152327D+01 -0.671948D+01  0.140446D+01 -0.497544D+01
      3  -0.215614D+01  0.362746D+01 -0.286222D+01  0.604584D+01 -0.545428D+01
               186           187           188           189           190 
      1  -0.221013D+01  0.158225D+01  0.179753D+01  0.311600D+01  0.123502D+01
      2   0.797731D+01 -0.106976D+02  0.727305D+01 -0.219111D+02 -0.475760D+01
      3   0.444684D+01 -0.358195D+01  0.506470D+01 -0.882918D+01  0.491436D+01
               191           192           193           194           195 
      1  -0.101858D+01 -0.279800D+00 -0.157798D+01  0.405847D+01  0.103450D+01
      2   0.160277D+01  0.579436D+01  0.412544D+01 -0.126783D+02 -0.165616D+02
      3  -0.516871D+01 -0.264864D+01 -0.835316D+01  0.165408D+02  0.138618D+02
               196           197           198           199           200 
      1  -0.122592D+01  0.492691D+01  0.221650D+01  0.151605D+00 -0.791415D-02
      2   0.102637D+02 -0.145171D+02 -0.246424D+02  0.124654D+02 -0.411496D+01
      3  -0.472191D+01  0.153260D+02  0.149471D+02  0.493521D+01 -0.745330D+01
               201           202           203           204           205 
      1   0.583258D+00 -0.763032D+00 -0.898119D-01 -0.119414D+01 -0.675256D-01
      2   0.123991D+02 -0.521995D+01  0.468587D+01 -0.962087D+01  0.154205D+02
      3   0.371493D+01 -0.793921D+01  0.657146D+01 -0.352392D+01  0.593573D+01
               206           207           208           209           210 
      1   0.161853D+01  0.777324D+00 -0.195563D+01 -0.203824D+01 -0.584967D+00
      2  -0.871985D+01  0.235558D+02 -0.175164D+01 -0.235878D+01  0.649890D+01
      3  -0.826794D+01  0.813763D+01 -0.129087D+02 -0.147195D+02  0.435151D+01
               211           212           213           214           215 
      1  -0.249092D+01 -0.445908D+01 -0.143873D+01 -0.270442D-01  0.183492D+01
      2  -0.470840D+01 -0.604814D+01  0.683285D+01  0.769168D+01  0.306780D+01
      3  -0.210279D+02 -0.309951D+02  0.871510D+01  0.523270D+01  0.801547D+01
               216           217           218           219           220 
      1   0.398799D+00 -0.368724D+01  0.187704D+01 -0.447329D+01  0.160308D+01
      2  -0.513361D+01  0.515504D+01  0.170365D+00  0.800836D+01 -0.822327D+00
      3  -0.351367D+01  0.365657D+00 -0.459453D+01  0.233511D+01 -0.192356D+01
               221           222           223           224           225 
      1  -0.220912D+01  0.296786D+01 -0.439204D+01  0.463225D+01 -0.122878D+02
      2   0.166802D+01 -0.710439D+01  0.250005D+01 -0.613667D+00  0.209867D+02
      3   0.237012D+01 -0.271740D+01  0.320316D+01 -0.518606D+01  0.331358D+01
               226           227           228           229           230 
      1  -0.383222D+01 -0.108446D+01  0.228175D+01 -0.486353D+00  0.398887D+00
      2   0.152227D+02 -0.300462D+01 -0.328213D+01 -0.169872D+01  0.159448D+01
      3  -0.225968D+02  0.583917D+01  0.526752D+01  0.604888D+01 -0.500004D+01
               231           232           233           234           235 
      1  -0.493547D+00  0.261374D+01  0.150508D+01 -0.164419D+01  0.181141D+01
      2  -0.145792D+00 -0.590439D+01  0.437357D+00  0.328006D+01 -0.112824D+01
      3  -0.111114D+01  0.394631D+01  0.577119D-01 -0.196114D+01 -0.639098D+01
               236           237           238           239           240 
      1   0.300517D+01 -0.297247D+01  0.463849D+01  0.776186D+01 -0.450995D+01
      2  -0.161329D+01  0.399342D+01 -0.315642D+01 -0.370924D+01  0.401106D+01
      3  -0.998916D+01 -0.290814D+00 -0.614877D+01 -0.273989D+02 -0.532133D-01
               241           242           243           244           245 
      1  -0.220691D+01 -0.156095D+01  0.130818D+01  0.409659D+00 -0.611903D+00
      2   0.262231D+01  0.282723D+01 -0.959116D+00 -0.663079D+01  0.576886D+00
      3   0.188437D+01  0.628933D+01 -0.130449D+01 -0.110286D+01 -0.231760D+01
               246           247           248           249           250 
      1  -0.806960D+00 -0.340554D+00  0.580548D+00 -0.382190D+00 -0.125047D+01
      2   0.414165D+01  0.172739D+00 -0.147075D+01  0.344660D-01  0.143051D+01
      3  -0.106503D+01 -0.133738D+01  0.990044D+00  0.206881D+01 -0.103050D+01
               251           252           253           254           255 
      1   0.341705D+01  0.257819D+01 -0.168393D+01  0.565097D+00 -0.308263D+01
      2  -0.155706D+00 -0.205018D+02  0.101314D+02  0.148006D+01  0.737889D+01
      3   0.315635D+01  0.163317D+01 -0.211963D+02 -0.178560D+02  0.182292D+01
               256           257           258           259           260 
      1  -0.156093D+01 -0.618609D+01  0.685184D+00 -0.721867D+00  0.585662D+01
      2   0.512173D+01  0.112263D+02 -0.323671D+01  0.530132D+01 -0.540396D+01
      3  -0.946781D+01  0.142611D+02 -0.991113D+01  0.106119D+01 -0.132050D+02
               261           262           263           264           265 
      1   0.858179D+01  0.764137D+00 -0.963753D+00  0.118747D+01 -0.252258D+01
      2  -0.193283D+02  0.500401D-01 -0.573989D+00  0.941359D+00 -0.836179D+00
      3   0.632454D+01  0.354441D+01 -0.557597D+01 -0.675734D+00 -0.559770D+01
               266           267           268           269           270 
      1   0.715853D+01 -0.436975D+01  0.112431D+01 -0.261554D+01  0.257492D+01
      2   0.249327D+01 -0.474127D+01  0.115624D+01 -0.437394D+01  0.173001D+01
      3   0.324320D+02 -0.437502D+00  0.343184D+01 -0.137089D+02  0.369389D+01
               271           272           273           274           275 
      1  -0.178742D+01 -0.511919D+00  0.934829D+00 -0.256540D+00 -0.156090D+01
      2   0.469916D+01 -0.373183D+00 -0.216545D+01  0.101959D+01  0.236173D+01
      3   0.664839D-01  0.163590D+01  0.149713D+01  0.104269D+01 -0.224983D+01
               276           277           278           279           280 
      1  -0.182696D+01  0.206622D+00  0.824974D+00 -0.120277D+02  0.852580D+00
      2   0.272469D+01 -0.250770D+01  0.526665D+01  0.242367D+02 -0.340623D+01
      3  -0.188448D+01  0.188043D+01 -0.555250D+01 -0.488777D+01  0.172146D+02
               281           282           283           284           285 
      1   0.596330D-01 -0.234229D+01  0.359346D+00  0.720992D+00 -0.468396D+00
      2   0.291320D+00  0.761257D+01 -0.771494D+00 -0.130591D+01  0.281341D+00
      3  -0.646059D+01 -0.123534D+01 -0.425949D+01  0.441078D+00  0.114380D+01
               286           287           288           289           290 
      1  -0.226476D+01  0.236156D+00 -0.314814D+00  0.156626D+01 -0.444862D+00
      2   0.424515D+01  0.102622D+01  0.483488D+00 -0.237121D+01  0.867484D+00
      3  -0.141674D+01  0.212433D+01  0.689758D+00 -0.457725D+01  0.861577D+01
               291           292           293           294           295 
      1   0.192304D+01 -0.225245D+00  0.407372D+01 -0.524406D+01  0.820933D+00
      2  -0.166552D+01  0.476530D-01 -0.619520D+01  0.470351D+01 -0.201794D+01
      3  -0.217310D+01  0.492964D+01 -0.272735D+02  0.688360D+01 -0.214884D+01
               296           297 
      1  -0.219372D+01  0.241238D+01
      2   0.537951D+01 -0.273957D+01
      3   0.110252D+02 -0.596961D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.534027D+01  0.320366D+01 -0.265251D+02  0.864496D+01 -0.129606D+02
      2   0.532783D+01 -0.432235D+01  0.798481D+01 -0.783394D+01  0.133553D+02
      3   0.124378D-01  0.111870D+01  0.185403D+02 -0.811013D+00 -0.394716D+00
      4   0.595688D+01  0.424850D+01  0.374118D+01  0.117477D+02 -0.306966D+01
      5  -0.105408D+02  0.367246D+01 -0.704268D+01  0.422398D+01  0.607357D+01
      6   0.299076D+01  0.593327D+01 -0.381348D+01  0.394182D+01 -0.105042D+02
                 6             7             8             9            10 
      1   0.105726D+02  0.399973D+02  0.440658D+01  0.533890D+01  0.541858D+02
      2  -0.118206D+02 -0.455424D+01 -0.703207D+01  0.411804D+01 -0.237187D+02
      3   0.124799D+01 -0.354431D+02  0.262550D+01 -0.945694D+01 -0.304671D+02
      4   0.548665D+01 -0.302915D+01  0.537389D+01  0.293281D+01 -0.134511D+02
      5   0.265347D+01 -0.104514D+01  0.201882D+01 -0.946918D+01 -0.123827D+02
      6   0.141276D+02  0.565588D+01  0.528532D+01  0.282634D+01  0.718480D+01
                11            12            13            14            15 
      1   0.737760D+01 -0.523131D+01  0.777040D+01  0.101076D+01  0.392459D+00
      2  -0.623760D+01  0.129233D+01 -0.127359D+02  0.899974D+01  0.123405D+01
      3  -0.114000D+01  0.393898D+01  0.496546D+01 -0.100105D+02 -0.162651D+01
      4  -0.139424D+01  0.355069D+00  0.220812D+02 -0.552150D+01 -0.100024D+01
      5  -0.563890D+00  0.106053D+02  0.444167D+01 -0.161140D+00 -0.332154D+01
      6   0.145003D+01 -0.844357D+01  0.115585D+01  0.191310D+01  0.659049D+01
                16            17            18            19            20 
      1  -0.934091D+01 -0.226500D+01 -0.168706D+02  0.438425D+01 -0.634985D+01
      2  -0.113176D+01  0.400091D+01 -0.221389D+01 -0.164020D+00  0.567936D+01
      3   0.104727D+02 -0.173591D+01  0.190845D+02 -0.422023D+01  0.670488D+00
      4   0.587677D+00 -0.160761D+01 -0.373914D+01 -0.436021D+01 -0.108614D+01
      5  -0.143166D+02 -0.362035D+01  0.569930D+00  0.920133D+01 -0.937794D-01
      6  -0.193880D+01 -0.401576D+01 -0.149503D+01 -0.182357D+01 -0.704325D+01
                21            22            23            24            25 
      1   0.256187D+02 -0.445567D+00 -0.111371D+02 -0.917082D+00 -0.257446D+02
      2  -0.117577D+02  0.196684D+01  0.844628D+01 -0.705235D+01 -0.285696D+01
      3  -0.138610D+02 -0.152127D+01  0.269087D+01  0.796943D+01  0.286016D+02
      4   0.131180D+01  0.157320D+02  0.335783D+01 -0.513296D+01 -0.488567D+01
      5  -0.125506D+02 -0.447922D+01 -0.441863D+01  0.206608D+01  0.486532D+01
      6   0.868372D+01 -0.397969D+01 -0.635181D+01  0.157747D+02 -0.273464D+01
                26            27            28            29            30 
      1   0.164679D+01  0.850443D+01  0.253032D+02 -0.162014D+01  0.369993D+01
      2  -0.394108D+01  0.625636D+01 -0.339542D+01  0.566177D+01  0.194035D+01
      3   0.229429D+01 -0.147608D+02 -0.219077D+02 -0.404163D+01 -0.564028D+01
      4  -0.829996D+01 -0.367733D+00  0.249864D+02  0.279768D+01 -0.150366D+00
      5  -0.340751D+00  0.101722D+02  0.184530D+01 -0.329678D+00  0.867369D+01
      6   0.779010D+01  0.609768D+00 -0.891370D+00 -0.268970D+01  0.433584D+01
                31            32            33            34            35 
      1  -0.172558D+01  0.179133D+01  0.114119D+01 -0.234660D+01  0.388729D+01
      2   0.456257D+01  0.674736D+01 -0.800422D+00 -0.641625D+00  0.328849D+00
      3  -0.283699D+01 -0.853870D+01 -0.340765D+00  0.298823D+01 -0.421614D+01
      4   0.200851D+02  0.191507D+01  0.198846D+01  0.643002D+00  0.687926D+01
      5   0.313793D+00  0.130748D+01 -0.201907D+00 -0.195185D+02 -0.309099D+00
      6  -0.345621D+01  0.874125D+00  0.349959D+01  0.138928D+01 -0.471480D+01
                36            37            38            39            40 
      1  -0.213023D+02  0.132518D+01 -0.182614D+01 -0.266007D+02 -0.370538D+01
      2  -0.809343D+00 -0.119654D+01  0.281426D+01  0.106000D+02  0.153698D+01
      3   0.221116D+02 -0.128633D+00 -0.988116D+00  0.160007D+02  0.216840D+01
      4  -0.293892D+01 -0.244362D+01  0.134455D+01  0.887635D+00  0.545720D+01
      5  -0.121163D+01 -0.201748D+02  0.165972D+01 -0.219555D+01  0.260179D+01
      6  -0.384932D+01  0.488562D+01  0.625600D+01  0.569989D+01  0.645353D+01
                41            42            43            44            45 
      1  -0.906291D+01 -0.135805D+01  0.283241D+02 -0.446429D+01  0.106801D+02
      2   0.938569D+01  0.278723D+01  0.221600D+01  0.179350D+01  0.133967D+01
      3  -0.322779D+00 -0.142918D+01 -0.305401D+02  0.267079D+01 -0.120197D+02
      4   0.195476D+01  0.668520D+01  0.688030D+01  0.667291D+01  0.233134D+01
      5   0.410786D+01  0.221756D+01  0.134827D+02  0.702543D+00 -0.882866D+01
      6   0.342087D+01  0.969414D+01  0.272122D+00  0.524561D+01  0.516933D+01
                46            47            48            49            50 
      1  -0.289337D+01 -0.177630D+01  0.229921D+02  0.609953D+01 -0.115638D+02
      2   0.707941D+01 -0.489380D+00 -0.894238D+01 -0.288807D+01  0.106348D+02
      3  -0.418604D+01  0.226568D+01 -0.140497D+02 -0.321146D+01  0.928982D+00
      4   0.391839D+01  0.167585D+01 -0.225084D+01  0.353357D+01  0.209071D+00
      5   0.223184D+02 -0.165652D+01 -0.696380D+01 -0.651351D+01 -0.357626D+01
      6  -0.444505D+01 -0.385373D+01 -0.948970D+00 -0.332161D+01  0.775962D+01
                51            52            53            54            55 
      1  -0.124450D+02 -0.315740D+02 -0.484681D+01  0.107508D+02 -0.416101D+02
      2   0.903896D+01  0.488464D+01  0.493596D+01  0.699186D+01  0.191003D+02
      3   0.340608D+01  0.266894D+02 -0.891498D-01 -0.177427D+02  0.225098D+02
      4  -0.494889D+01  0.464888D+01 -0.392013D+01 -0.175056D-01  0.194559D+01
      5   0.199147D+00  0.109406D+02  0.285453D+00  0.909184D+01  0.301263D+01
      6   0.136686D+02 -0.163482D+01  0.676129D+01  0.233540D+01 -0.665488D+01
                56            57            58            59            60 
      1  -0.823577D+01 -0.220676D+01 -0.552779D+02 -0.298111D+02  0.972664D+01
      2   0.482764D+01  0.132505D+01  0.298498D+02  0.129282D+02 -0.661882D+01
      3   0.340813D+01  0.881715D+00  0.254281D+02  0.168830D+02 -0.310782D+01
      4  -0.220334D+02  0.140204D+01 -0.525824D+02  0.746186D+01  0.121435D+02
      5   0.228034D+01 -0.166000D+02  0.775708D+01  0.127344D+02  0.231833D+02
      6  -0.118751D+01  0.517811D+01  0.386801D+01 -0.734954D+01 -0.107649D+02
                61            62            63            64            65 
      1   0.101185D+02  0.836335D+01 -0.130169D+02 -0.441863D+02  0.112230D+02
      2  -0.895742D+00 -0.384124D+01  0.374562D+01  0.297795D+02 -0.520044D+01
      3  -0.922274D+01 -0.452211D+01  0.927129D+01  0.144068D+02 -0.602256D+01
      4   0.193519D+01  0.156368D+02  0.357632D+02  0.138491D+02  0.292104D+02
      5  -0.335728D+02  0.320769D+02 -0.956544D+01  0.308579D+02 -0.616323D+01
      6   0.158724D+02 -0.118579D+02 -0.110726D+01  0.643551D+01  0.435046D+00
                66            67            68            69            70 
      1   0.318352D+02  0.597745D+02  0.483245D+02 -0.122571D+02  0.319099D+02
      2  -0.162572D+02 -0.243780D+02 -0.203172D+02  0.369197D+01 -0.161821D+02
      3  -0.155780D+02 -0.353965D+02 -0.280073D+02  0.856513D+01 -0.157278D+02
      4  -0.410369D+01  0.527633D+02  0.629889D+01 -0.163104D+02 -0.846434D+01
      5   0.170594D+02 -0.199594D+02 -0.185724D+02 -0.311745D+02  0.344136D+02
      6   0.683144D+01 -0.400812D+01 -0.247356D+01 -0.702868D+01  0.725901D+00
                71            72            73            74            75 
      1  -0.702027D+01  0.414080D+02  0.541183D+02 -0.137272D+02 -0.317567D+02
      2  -0.473659D+01 -0.213782D+02 -0.317990D+02  0.399817D+01  0.149997D+02
      3   0.117569D+02 -0.200298D+02 -0.223194D+02  0.972902D+01  0.167570D+02
      4  -0.185952D+02 -0.296752D+02 -0.194604D+02 -0.384708D+02  0.132823D+02
      5  -0.320562D+02  0.221562D+02 -0.287551D+02  0.147468D+02 -0.248176D+02
      6  -0.500834D+01  0.765246D+01  0.253452D+01  0.679412D+01 -0.886534D+00
                76            77            78            79            80 
      1  -0.305261D+02 -0.506608D+02  0.208926D+02 -0.344156D+02  0.178579D+02
      2   0.801680D+01  0.257053D+02 -0.172845D+01  0.150250D+02 -0.723184D+00
      3   0.225092D+02  0.249555D+02 -0.191642D+02  0.193906D+02 -0.171347D+02
      4  -0.656076D+02 -0.250954D+02  0.345436D+02  0.164867D+02  0.292730D+02
      5   0.218576D+02  0.378450D+02  0.407261D+02 -0.457632D+02  0.414543D+02
      6   0.120031D+02  0.510629D+01 -0.669760D+01  0.216499D+00 -0.607295D+01
                81            82            83            84            85 
      1  -0.418947D+02  0.533233D+02 -0.110869D+02 -0.151523D+02 -0.143148D+02
      2   0.258972D+02 -0.355156D+02 -0.728920D+01  0.175588D+02 -0.115419D+02
      3   0.159975D+02 -0.178076D+02  0.183761D+02 -0.240647D+01  0.258567D+02
      4   0.397879D+02 -0.749705D+01 -0.301226D+02  0.211191D+01 -0.390021D+02
      5  -0.111995D+00 -0.125765D+02  0.502412D+01 -0.172481D+02  0.843180D+01
      6  -0.631309D+01 -0.583738D+01 -0.159269D+00 -0.588703D+01  0.946596D+00
                86            87            88            89            90 
      1  -0.251144D+02 -0.180447D+01 -0.134799D+02 -0.242001D+01 -0.248000D+02
      2  -0.796363D+01 -0.620470D+00  0.180271D+02  0.537719D+01  0.290192D+02
      3   0.330780D+02  0.242494D+01 -0.454712D+01 -0.295718D+01 -0.421924D+01
      4  -0.394461D+02  0.156912D+02  0.370100D+01  0.276973D+02  0.153970D+02
      5   0.125791D+02  0.269231D+02 -0.263785D+02  0.223953D+02 -0.297885D+02
      6   0.664934D+01  0.111047D+02 -0.362346D+01  0.904799D+01 -0.303597D+01
                91            92            93            94            95 
      1   0.805588D+01 -0.294023D+01  0.258500D+00 -0.158708D+02 -0.221651D+02
      2  -0.118661D+02 -0.432556D+01 -0.316202D+01  0.428955D+01  0.258253D+01
      3   0.381018D+01  0.726579D+01  0.290352D+01  0.115812D+02  0.195826D+02
      4  -0.218660D+02 -0.244343D+02 -0.619574D+01 -0.571976D+02  0.109596D+02
      5  -0.208946D+01 -0.521645D+01 -0.739248D+01 -0.442052D+01 -0.121514D+02
      6  -0.274795D+01 -0.143512D+01 -0.355427D+01 -0.539565D+01 -0.277376D+01
                96            97            98            99           100 
      1  -0.186230D+01 -0.135333D+02 -0.445125D+01 -0.158634D+01 -0.275662D+01
      2   0.142216D+01 -0.548558D+01  0.251028D+00  0.121025D+02  0.304445D+01
      3   0.440141D+00  0.190189D+02  0.420023D+01 -0.105162D+02 -0.287833D+00
      4  -0.123801D+02 -0.119558D+02 -0.272060D+02 -0.390940D-01  0.855085D+01
      5  -0.469767D+00 -0.106321D+02  0.117068D+01  0.385581D+02 -0.195806D+02
      6   0.118190D-01 -0.247003D+01  0.274537D+01  0.335245D+01  0.559725D+01
               101           102           103           104           105 
      1   0.326570D+01 -0.908070D+01  0.134317D+02  0.781832D+01  0.522385D+01
      2  -0.125576D+01  0.920753D+01 -0.117892D+02  0.182639D+00 -0.979736D+01
      3  -0.200993D+01 -0.126826D+00 -0.164245D+01 -0.800096D+01  0.457350D+01
      4   0.332256D+01  0.607324D+01  0.961288D+01 -0.255751D+02  0.164333D+02
      5   0.563410D+01 -0.716206D+01 -0.655340D+00  0.162378D+02  0.134857D+02
      6  -0.422326D+01  0.607387D+01  0.617988D+01 -0.145873D+02 -0.876311D+01
               106           107           108           109           110 
      1  -0.312097D+02  0.729086D+01 -0.997126D+01  0.410364D+02 -0.633704D+01
      2   0.206972D+02 -0.462364D+01  0.115187D+02 -0.263832D+02  0.199323D+01
      3   0.105125D+02 -0.266723D+01 -0.154743D+01 -0.146531D+02  0.434382D+01
      4   0.171018D+02 -0.323421D+01  0.170075D+02 -0.153313D+02  0.149003D+02
      5  -0.292018D+02  0.152272D+02 -0.417324D+02  0.379743D+02 -0.498688D+01
      6   0.119165D+02 -0.165876D+02  0.141125D+02 -0.103833D+02  0.327152D+01
               111           112           113           114           115 
      1   0.271026D+02 -0.444922D+01  0.221596D+01  0.112988D+01  0.474208D+02
      2  -0.194538D+02 -0.209034D+00  0.720498D+00  0.101617D+00 -0.287530D+02
      3  -0.764877D+01  0.465825D+01 -0.293646D+01 -0.123150D+01 -0.186678D+02
      4  -0.892773D+01  0.150804D+02 -0.416306D+01  0.121809D+02 -0.225473D+02
      5   0.270760D+02 -0.657310D+01  0.121487D+02 -0.102905D+02  0.485666D+02
      6  -0.619750D+01  0.482236D+01 -0.626181D+01  0.131083D+02 -0.127323D+02
               116           117           118           119           120 
      1  -0.294685D+01  0.108558D+02  0.116844D+01 -0.133503D+02 -0.991187D+01
      2  -0.230141D+01 -0.309420D+02 -0.128838D+01  0.162150D+02  0.424431D+01
      3   0.524825D+01  0.200862D+02  0.119942D+00 -0.286469D+01  0.566757D+01
      4   0.291916D+02 -0.151089D+02 -0.243857D+01 -0.595638D+01  0.707681D+01
      5  -0.138671D+02  0.756947D+02 -0.905073D+01  0.228538D+01  0.467557D+01
      6   0.155402D+02 -0.282684D+02  0.500052D+01 -0.235380D+00 -0.474299D+00
               121           122           123           124           125 
      1  -0.105188D+02 -0.761589D+01 -0.555138D+01 -0.129131D+02 -0.708026D+01
      2   0.158158D+02 -0.862680D+01  0.119197D+02 -0.325904D+00  0.215817D+02
      3  -0.529696D+01  0.162427D+02 -0.636836D+01  0.132390D+02 -0.145014D+02
      4  -0.664683D+01  0.382567D+02 -0.213475D+02  0.211060D+02 -0.392824D+02
      5   0.814221D+01 -0.213905D+02 -0.652428D+01  0.117806D+02 -0.157544D+02
      6  -0.580553D+01  0.210989D+02  0.107301D+02 -0.522115D+01  0.171149D+02
               126           127           128           129           130 
      1  -0.449301D+01  0.536575D+00  0.163581D+01 -0.356863D+01 -0.850563D+00
      2  -0.829744D+00 -0.659450D+01 -0.549881D+00 -0.618060D+01  0.173832D+01
      3   0.532275D+01  0.605793D+01 -0.108593D+01  0.974923D+01 -0.887753D+00
      4  -0.135871D+02 -0.584889D+01  0.437076D+01 -0.535450D+01  0.929988D+00
      5  -0.228139D+02  0.176434D+02 -0.305890D+01  0.177909D+02 -0.287628D+01
      6   0.176967D+02 -0.658128D+01  0.370989D+01 -0.713705D+01  0.188095D+01
               131           132           133           134           135 
      1  -0.155279D+01  0.157821D+01 -0.583471D+01  0.433546D+01 -0.212402D+02
      2  -0.348762D+00  0.117471D+01 -0.753001D+01 -0.330606D+00 -0.121748D+02
      3   0.190155D+01 -0.275292D+01  0.133647D+02 -0.400485D+01  0.334150D+02
      4  -0.146969D+01  0.237187D+01 -0.468593D+01  0.401292D+01 -0.673115D+01
      5   0.233822D+01 -0.366884D+01  0.181578D+02 -0.380510D+01  0.266260D+02
      6  -0.118758D+01  0.322925D+01 -0.738510D+01  0.739361D+01 -0.147257D+02
               136           137           138           139           140 
      1  -0.288079D+01 -0.152687D+00  0.588516D+01 -0.661551D+00 -0.143194D+01
      2  -0.580229D+01 -0.291043D-02  0.631020D+01  0.623410D-01 -0.487335D+00
      3   0.868309D+01  0.155597D+00 -0.121954D+02  0.599210D+00  0.191927D+01
      4   0.276231D+01  0.214439D+01 -0.271149D+01  0.321426D+00 -0.268283D+00
      5  -0.119209D+02 -0.715994D+00  0.152059D+02  0.798572D-01 -0.127681D+01
      6  -0.288511D+01 -0.186491D+01  0.314723D+01 -0.360412D+00 -0.353622D+00
               141           142           143           144           145 
      1   0.854398D+00  0.894914D+01  0.282585D+01 -0.329318D+02  0.311979D+01
      2   0.399268D+00  0.654860D+01 -0.454822D+00 -0.167446D+02 -0.512174D+01
      3  -0.125367D+01 -0.154977D+02 -0.237103D+01  0.496764D+02  0.200195D+01
      4  -0.946267D+00 -0.294946D+01 -0.275247D+01  0.421276D+01  0.767431D+00
      5  -0.279561D+00  0.141554D+02  0.151765D+01 -0.237476D+02  0.110799D+02
      6   0.229452D+01  0.462321D+01  0.674610D+01 -0.124278D+02  0.142140D+01
               146           147           148           149           150 
      1  -0.400601D+00 -0.162436D+01 -0.704918D+00 -0.371074D+00  0.154732D+01
      2   0.631219D+00 -0.408139D+01  0.546250D+00 -0.616406D+00  0.496122D+00
      3  -0.230618D+00  0.570575D+01  0.158668D+00  0.987479D+00 -0.204345D+01
      4   0.293292D+01  0.634091D+00  0.162465D+01 -0.123738D+01  0.576601D+00
      5  -0.108694D+01  0.105724D+02 -0.103788D+01  0.199798D+01 -0.212090D+01
      6   0.128873D+01  0.142567D+01  0.234759D+00 -0.914283D+00  0.955570D+00
               151           152           153           154           155 
      1  -0.457901D+01  0.803335D+00 -0.157052D+02  0.251656D+00  0.126031D+01
      2  -0.538829D+01  0.799041D+00 -0.929637D+01 -0.531161D+01 -0.881936D+00
      3   0.996729D+01 -0.160238D+01  0.250016D+02  0.505995D+01 -0.378376D+00
      4   0.974122D+00  0.266546D+01  0.129048D+01 -0.167578D+01  0.226802D+01
      5   0.131267D+02 -0.103334D+01  0.180432D+02 -0.994732D+01  0.459339D+00
      6   0.220411D+01  0.402540D+01  0.365393D+01  0.340345D+01 -0.159015D+01
               156           157           158           159           160 
      1   0.285444D+01 -0.108059D+01 -0.146686D+01  0.142046D+01  0.431276D+01
      2   0.517730D+01  0.651273D+00 -0.351225D+00 -0.923879D-01  0.681960D+01
      3  -0.803174D+01  0.429315D+00  0.181809D+01 -0.132808D+01 -0.111324D+02
      4   0.220614D+01  0.111839D+01 -0.584473D+00 -0.123972D+01  0.152420D+01
      5   0.128066D+02  0.631947D+00 -0.194416D+01 -0.735143D+00  0.134700D+02
      6  -0.431588D+01 -0.135126D+01  0.672463D-01  0.167107D+01 -0.404324D+01
               161           162           163           164           165 
      1  -0.160228D+01 -0.251569D+02  0.132820D+02 -0.559437D+01 -0.678051D+01
      2   0.853308D+00 -0.134867D+02 -0.465369D+01  0.103783D+01  0.277245D+01
      3   0.748970D+00  0.386435D+02 -0.862833D+01  0.455654D+01  0.400806D+01
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      6   0.108835D+02 -0.605291D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 15:29:51 2021, MaxMem=  6442450944 cpu:           80447.6 elap:           10059.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20223 -19.14631 -10.32347 -10.21181 -10.20093
 Alpha  occ. eigenvalues --  -10.19480 -10.19087 -10.18984 -10.18895 -10.18821
 Alpha  occ. eigenvalues --  -10.18813 -10.18362 -10.18248 -10.17395 -10.17015
 Alpha  occ. eigenvalues --   -1.12109  -1.03189  -0.87510  -0.82911  -0.80390
 Alpha  occ. eigenvalues --   -0.75435  -0.75044  -0.69018  -0.68769  -0.67566
 Alpha  occ. eigenvalues --   -0.61965  -0.60888  -0.57681  -0.56441  -0.51709
 Alpha  occ. eigenvalues --   -0.51105  -0.49311  -0.47330  -0.47035  -0.45186
 Alpha  occ. eigenvalues --   -0.45041  -0.44350  -0.43017  -0.42464  -0.41946
 Alpha  occ. eigenvalues --   -0.41640  -0.39125  -0.38718  -0.38243  -0.37513
 Alpha  occ. eigenvalues --   -0.36906  -0.36339  -0.34913  -0.34412  -0.33500
 Alpha  occ. eigenvalues --   -0.33380  -0.32918  -0.32559  -0.28868  -0.26066
 Alpha  occ. eigenvalues --   -0.24524
 Alpha virt. eigenvalues --   -0.02699  -0.01920  -0.01317  -0.00732  -0.00056
 Alpha virt. eigenvalues --    0.00173   0.00518   0.01132   0.01333   0.01845
 Alpha virt. eigenvalues --    0.02662   0.03016   0.03329   0.03772   0.04027
 Alpha virt. eigenvalues --    0.04327   0.05385   0.05457   0.05821   0.06219
 Alpha virt. eigenvalues --    0.06664   0.07599   0.07826   0.08013   0.08162
 Alpha virt. eigenvalues --    0.08442   0.08821   0.08909   0.08976   0.09303
 Alpha virt. eigenvalues --    0.09674   0.09814   0.10171   0.10593   0.10798
 Alpha virt. eigenvalues --    0.11040   0.11306   0.11528   0.11936   0.12070
 Alpha virt. eigenvalues --    0.12494   0.12702   0.12762   0.13218   0.13569
 Alpha virt. eigenvalues --    0.14069   0.14414   0.14527   0.14740   0.15047
 Alpha virt. eigenvalues --    0.15181   0.15299   0.15961   0.16030   0.16521
 Alpha virt. eigenvalues --    0.17057   0.17242   0.17493   0.18231   0.18676
 Alpha virt. eigenvalues --    0.18856   0.19025   0.19948   0.20115   0.20608
 Alpha virt. eigenvalues --    0.21117   0.21292   0.21829   0.21975   0.22446
 Alpha virt. eigenvalues --    0.22834   0.23138   0.23347   0.23476   0.23942
 Alpha virt. eigenvalues --    0.24024   0.24131   0.24367   0.24643   0.24813
 Alpha virt. eigenvalues --    0.25242   0.26008   0.26248   0.26531   0.27040
 Alpha virt. eigenvalues --    0.27451   0.27559   0.28241   0.28654   0.28982
 Alpha virt. eigenvalues --    0.29183   0.29319   0.29753   0.30457   0.30827
 Alpha virt. eigenvalues --    0.31143   0.31398   0.32060   0.32884   0.33250
 Alpha virt. eigenvalues --    0.33827   0.33938   0.34219   0.34654   0.34992
 Alpha virt. eigenvalues --    0.35053   0.35449   0.35640   0.35822   0.36408
 Alpha virt. eigenvalues --    0.36955   0.37342   0.37524   0.37767   0.38258
 Alpha virt. eigenvalues --    0.38319   0.38598   0.39514   0.39787   0.40216
 Alpha virt. eigenvalues --    0.40423   0.40751   0.41485   0.41694   0.42491
 Alpha virt. eigenvalues --    0.42834   0.43194   0.43544   0.44056   0.44428
 Alpha virt. eigenvalues --    0.44963   0.45424   0.45730   0.45928   0.46722
 Alpha virt. eigenvalues --    0.46974   0.47406   0.47677   0.48324   0.48702
 Alpha virt. eigenvalues --    0.49402   0.49695   0.50510   0.50602   0.50975
 Alpha virt. eigenvalues --    0.51794   0.52029   0.52660   0.53240   0.53284
 Alpha virt. eigenvalues --    0.53820   0.54234   0.54940   0.55013   0.55266
 Alpha virt. eigenvalues --    0.55815   0.56407   0.56876   0.57275   0.57471
 Alpha virt. eigenvalues --    0.58069   0.58400   0.58675   0.59131   0.59304
 Alpha virt. eigenvalues --    0.59672   0.60429   0.60700   0.61226   0.61510
 Alpha virt. eigenvalues --    0.61854   0.62516   0.62716   0.63137   0.64118
 Alpha virt. eigenvalues --    0.64465   0.64960   0.65135   0.65292   0.66031
 Alpha virt. eigenvalues --    0.66754   0.66870   0.67041   0.67244   0.67843
 Alpha virt. eigenvalues --    0.68420   0.69630   0.69721   0.69906   0.70032
 Alpha virt. eigenvalues --    0.70706   0.71151   0.71342   0.72045   0.72497
 Alpha virt. eigenvalues --    0.73040   0.73457   0.74226   0.74446   0.75022
 Alpha virt. eigenvalues --    0.76196   0.76260   0.76619   0.76961   0.77650
 Alpha virt. eigenvalues --    0.78305   0.78716   0.79569   0.79764   0.80025
 Alpha virt. eigenvalues --    0.80669   0.81359   0.81515   0.82253   0.82867
 Alpha virt. eigenvalues --    0.83263   0.84121   0.84448   0.84728   0.85660
 Alpha virt. eigenvalues --    0.86876   0.87649   0.87779   0.88305   0.88904
 Alpha virt. eigenvalues --    0.89445   0.89656   0.90379   0.91283   0.93047
 Alpha virt. eigenvalues --    0.93831   0.94348   0.94983   0.95486   0.96226
 Alpha virt. eigenvalues --    0.97830   0.98874   0.99134   1.00104   1.00375
 Alpha virt. eigenvalues --    1.01526   1.02351   1.03238   1.03967   1.04690
 Alpha virt. eigenvalues --    1.06148   1.06819   1.08129   1.09277   1.09671
 Alpha virt. eigenvalues --    1.10007   1.11156   1.11506   1.13010   1.13743
 Alpha virt. eigenvalues --    1.14612   1.15554   1.16824   1.17134   1.18083
 Alpha virt. eigenvalues --    1.18538   1.19466   1.21035   1.21344   1.23377
 Alpha virt. eigenvalues --    1.23553   1.25634   1.26064   1.27993   1.29667
 Alpha virt. eigenvalues --    1.32241   1.32579   1.32954   1.33947   1.36092
 Alpha virt. eigenvalues --    1.36535   1.37936   1.37990   1.38654   1.40039
 Alpha virt. eigenvalues --    1.40816   1.41427   1.43760   1.44990   1.45876
 Alpha virt. eigenvalues --    1.46937   1.47610   1.48151   1.48544   1.48806
 Alpha virt. eigenvalues --    1.49672   1.50118   1.51173   1.51631   1.53647
 Alpha virt. eigenvalues --    1.54169   1.54888   1.56159   1.56838   1.57429
 Alpha virt. eigenvalues --    1.57629   1.59098   1.60317   1.60598   1.61638
 Alpha virt. eigenvalues --    1.62657   1.63945   1.64290   1.65462   1.66235
 Alpha virt. eigenvalues --    1.67030   1.68140   1.69114   1.69545   1.70131
 Alpha virt. eigenvalues --    1.71074   1.71102   1.72204   1.72877   1.73143
 Alpha virt. eigenvalues --    1.73606   1.75221   1.76149   1.76573   1.77882
 Alpha virt. eigenvalues --    1.78413   1.79053   1.80670   1.82008   1.82183
 Alpha virt. eigenvalues --    1.82978   1.83794   1.85002   1.85645   1.86837
 Alpha virt. eigenvalues --    1.87563   1.88137   1.88856   1.89428   1.90043
 Alpha virt. eigenvalues --    1.90660   1.91965   1.92759   1.92925   1.93869
 Alpha virt. eigenvalues --    1.95167   1.95952   1.96298   1.97143   1.98260
 Alpha virt. eigenvalues --    1.99296   1.99375   2.00385   2.01287   2.03234
 Alpha virt. eigenvalues --    2.03630   2.04824   2.04957   2.06487   2.06934
 Alpha virt. eigenvalues --    2.08157   2.09171   2.10463   2.10767   2.11450
 Alpha virt. eigenvalues --    2.12433   2.13003   2.14433   2.15062   2.16690
 Alpha virt. eigenvalues --    2.16959   2.17193   2.18825   2.20495   2.21707
 Alpha virt. eigenvalues --    2.22182   2.23440   2.24309   2.24762   2.26327
 Alpha virt. eigenvalues --    2.27856   2.27949   2.29471   2.30570   2.31264
 Alpha virt. eigenvalues --    2.31919   2.33195   2.33712   2.36610   2.37616
 Alpha virt. eigenvalues --    2.37827   2.39069   2.40992   2.42049   2.46022
 Alpha virt. eigenvalues --    2.46729   2.47431   2.47777   2.48757   2.51135
 Alpha virt. eigenvalues --    2.52654   2.53746   2.54859   2.55778   2.57617
 Alpha virt. eigenvalues --    2.58938   2.59558   2.60255   2.61846   2.64426
 Alpha virt. eigenvalues --    2.66928   2.69023   2.70157   2.71441   2.73241
 Alpha virt. eigenvalues --    2.75204   2.75539   2.78379   2.80554   2.81776
 Alpha virt. eigenvalues --    2.82995   2.86319   2.87436   2.89529   2.90454
 Alpha virt. eigenvalues --    2.95194   3.02660   3.07402   3.08578   3.09075
 Alpha virt. eigenvalues --    3.12615   3.19788   3.26714   3.33203   3.35385
 Alpha virt. eigenvalues --    3.37248   3.42216   3.43031   3.44084   3.46360
 Alpha virt. eigenvalues --    3.49593   3.52586   3.60746   3.62538   3.71073
 Alpha virt. eigenvalues --    3.74139   3.83027   3.89708   4.01373   4.79853
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   27.269467  -3.014717  -2.467955  -4.351219  -2.543438  -8.863035
     2  C   -3.014717  29.680521  -4.216146  -7.524532   2.329596 -11.225169
     3  C   -2.467955  -4.216146  29.186457  -4.539069  -9.277501  -2.417781
     4  C   -4.351219  -7.524532  -4.539069  33.590102  -9.237387   2.262377
     5  C   -2.543438   2.329596  -9.277501  -9.237387  40.643715 -10.411193
     6  C   -8.863035 -11.225169  -2.417781   2.262377 -10.411193  41.401320
     7  C    0.436211  -2.377343  -0.815191  -0.794372  -0.413870  -1.476700
     8  C   -0.324328   0.513865  -0.109244  -0.309215  -0.117470  -0.327616
     9  C    0.048812  -0.030994   0.064103   0.018705  -0.001185  -0.230884
    10  C    0.329830  -0.236996   0.201445  -0.081733   0.117680  -0.654297
    11  C   -0.081169  -0.392982   1.044714  -7.193469  -0.783220   0.283426
    12  C   -0.225044  -0.017236  -0.148569   1.204050  -1.291043   0.064263
    13  O    0.017310  -0.008851   0.017347  -0.114297   0.179049  -0.066189
    14  O    0.043013   0.011799   0.007277  -0.060592   0.103517  -0.046451
    15  H   -3.038390   0.736349   1.015435   0.378995  -0.412821   0.395335
    16  H    1.366184   0.309039  -3.322011   0.430718   0.329182  -0.421318
    17  H   -0.112061  -1.230573   0.762977   2.303161  -5.335074   1.711250
    18  H    0.878156   2.979977  -0.034258  -1.542562   1.498543  -5.138238
    19  H   -0.543366  -0.410029  -0.299816   0.227165   0.292775   1.238184
    20  H    0.999939  -0.601044   0.532224  -0.016185  -0.067545  -1.065604
    21  H    0.026249  -0.249441  -0.011119   0.122828   0.063214   0.388651
    22  H    0.090528   0.258490   0.023958  -0.003205   0.008262  -0.176722
    23  H   -0.054713   0.138758  -0.000613   0.014555  -0.010154   0.102565
    24  H   -0.016228  -0.164163  -0.006758  -0.009067   0.001058  -0.008933
    25  H    0.231957  -0.190327   0.110222  -0.005435   0.023324  -0.104700
    26  H   -0.035160   0.060746  -0.239168   0.090707   0.000386   0.243044
    27  H   -0.020325   0.064829   0.050201  -0.007434   0.000067  -0.093901
    28  H   -0.067067  -0.003227   0.058539   0.972195  -0.160468  -0.059786
    29  C    0.001704  -0.222992   0.425932  -0.648546  -0.743945   0.042722
    30  H   -0.006247  -0.001243  -0.006057   0.044944  -0.029007   0.007551
    31  H    0.036577  -0.096480   0.201132   0.023467  -0.413729  -0.058956
    32  H   -0.050849   0.075993  -0.388120   1.255099   0.227733  -0.000500
    33  H    0.071328  -0.068631   0.285008  -1.024324   0.072739  -0.016410
               7          8          9         10         11         12
     1  C    0.436211  -0.324328   0.048812   0.329830  -0.081169  -0.225044
     2  C   -2.377343   0.513865  -0.030994  -0.236996  -0.392982  -0.017236
     3  C   -0.815191  -0.109244   0.064103   0.201445   1.044714  -0.148569
     4  C   -0.794372  -0.309215   0.018705  -0.081733  -7.193469   1.204050
     5  C   -0.413870  -0.117470  -0.001185   0.117680  -0.783220  -1.291043
     6  C   -1.476700  -0.327616  -0.230884  -0.654297   0.283426   0.064263
     7  C   13.448931  -0.949411   0.261725   0.395935  -0.493992  -0.012169
     8  C   -0.949411  10.640876  -0.413181  -0.701460   0.047168  -0.016166
     9  C    0.261725  -0.413181   5.156721  -0.204980  -0.002741   0.001360
    10  C    0.395935  -0.701460  -0.204980   4.956159  -0.040775   0.005764
    11  C   -0.493992   0.047168  -0.002741  -0.040775  17.588594  -2.986512
    12  C   -0.012169  -0.016166   0.001360   0.005764  -2.986512   8.716735
    13  O   -0.002270   0.000568   0.000020  -0.000201   0.196979  -0.217048
    14  O    0.000227   0.002697   0.000097  -0.000773   0.203683  -0.413511
    15  H   -0.546050  -0.039102   0.036117  -0.038525   0.187886   0.014729
    16  H    0.185730   0.008334  -0.001617   0.003794  -0.098258  -0.078554
    17  H    0.124413  -0.008909  -0.002218   0.000878  -0.122395   0.230338
    18  H   -0.253825   0.051803   0.045518   0.020725  -0.019887   0.006404
    19  H   -1.219256   0.087698  -0.058560   0.014046   0.000981   0.000226
    20  H   -0.668027   0.105801  -0.145223   0.055597  -0.023179  -0.001944
    21  H   -0.106267  -2.125490  -0.113955   0.261096   0.007653  -0.000106
    22  H   -0.225524   0.346949  -0.009386  -0.061468   0.000688   0.000095
    23  H   -0.039764  -0.393786   0.378620  -0.090413   0.001655   0.000243
    24  H    0.098709   0.334218  -0.054196   0.078721  -0.001307  -0.000176
    25  H   -0.265750   0.014758  -0.117509   0.184845  -0.002196   0.000369
    26  H   -0.246377   0.410234  -0.114512   0.016401  -0.004910  -0.001648
    27  H    0.105568  -0.108136   0.119831   0.011217  -0.000245   0.001533
    28  H   -0.008316   0.003610   0.000125  -0.000906  -2.110507   0.255088
    29  C   -0.082877  -0.006140  -0.000150  -0.001080   0.412279   0.138579
    30  H   -0.000266  -0.000083   0.000035  -0.000121   0.004225  -0.055760
    31  H   -0.012839   0.000620  -0.000031  -0.000974  -0.309262   0.099201
    32  H    0.004139  -0.000960  -0.000060   0.000366  -0.729796   0.023315
    33  H   -0.022852   0.000421   0.000089  -0.000489   0.977279  -0.172623
              13         14         15         16         17         18
     1  C    0.017310   0.043013  -3.038390   1.366184  -0.112061   0.878156
     2  C   -0.008851   0.011799   0.736349   0.309039  -1.230573   2.979977
     3  C    0.017347   0.007277   1.015435  -3.322011   0.762977  -0.034258
     4  C   -0.114297  -0.060592   0.378995   0.430718   2.303161  -1.542562
     5  C    0.179049   0.103517  -0.412821   0.329182  -5.335074   1.498543
     6  C   -0.066189  -0.046451   0.395335  -0.421318   1.711250  -5.138238
     7  C   -0.002270   0.000227  -0.546050   0.185730   0.124413  -0.253825
     8  C    0.000568   0.002697  -0.039102   0.008334  -0.008909   0.051803
     9  C    0.000020   0.000097   0.036117  -0.001617  -0.002218   0.045518
    10  C   -0.000201  -0.000773  -0.038525   0.003794   0.000878   0.020725
    11  C    0.196979   0.203683   0.187886  -0.098258  -0.122395  -0.019887
    12  C   -0.217048  -0.413511   0.014729  -0.078554   0.230338   0.006404
    13  O    8.587977   0.029591  -0.000362   0.005328  -0.048933  -0.001387
    14  O    0.029591   8.420428  -0.000030   0.018910  -0.016407  -0.001051
    15  H   -0.000362  -0.000030   4.014677  -0.469589  -0.004330  -0.009701
    16  H    0.005328   0.018910  -0.469589   4.063611  -0.023840  -0.008459
    17  H   -0.048933  -0.016407  -0.004330  -0.023840   4.441936  -0.453418
    18  H   -0.001387  -0.001051  -0.009701  -0.008459  -0.453418   4.327806
    19  H   -0.000178   0.000025   0.043990  -0.005062   0.008170  -0.097668
    20  H    0.000076  -0.000088  -0.208775   0.031304   0.001395   0.006490
    21  H    0.000051   0.000215  -0.006057   0.002750   0.004087  -0.089804
    22  H    0.000004   0.000018   0.002034  -0.000128   0.000309   0.017931
    23  H   -0.000003   0.000008   0.017698  -0.001117  -0.000720   0.007021
    24  H    0.000005   0.000001  -0.005229   0.000382   0.000088  -0.005539
    25  H    0.000002  -0.000052  -0.033466   0.004259   0.002365  -0.015128
    26  H   -0.000016  -0.001210   0.001225  -0.005751  -0.006646   0.026320
    27  H   -0.000062  -0.000051   0.012570  -0.002379  -0.001040   0.005214
    28  H   -0.007057  -0.048699   0.011741  -0.238294  -0.020795   0.005235
    29  C   -0.003373  -0.012859   0.010471  -0.000327   0.019828   0.002177
    30  H   -0.044719   0.257778   0.000104  -0.001065   0.002648   0.000045
    31  H   -0.000487  -0.014690  -0.001371   0.010769  -0.108365   0.002773
    32  H   -0.001437   0.002758   0.000231   0.003005   0.016648  -0.001730
    33  H    0.023423   0.008711   0.004418  -0.015050   0.015465  -0.002498
              19         20         21         22         23         24
     1  C   -0.543366   0.999939   0.026249   0.090528  -0.054713  -0.016228
     2  C   -0.410029  -0.601044  -0.249441   0.258490   0.138758  -0.164163
     3  C   -0.299816   0.532224  -0.011119   0.023958  -0.000613  -0.006758
     4  C    0.227165  -0.016185   0.122828  -0.003205   0.014555  -0.009067
     5  C    0.292775  -0.067545   0.063214   0.008262  -0.010154   0.001058
     6  C    1.238184  -1.065604   0.388651  -0.176722   0.102565  -0.008933
     7  C   -1.219256  -0.668027  -0.106267  -0.225524  -0.039764   0.098709
     8  C    0.087698   0.105801  -2.125490   0.346949  -0.393786   0.334218
     9  C   -0.058560  -0.145223  -0.113955  -0.009386   0.378620  -0.054196
    10  C    0.014046   0.055597   0.261096  -0.061468  -0.090413   0.078721
    11  C    0.000981  -0.023179   0.007653   0.000688   0.001655  -0.001307
    12  C    0.000226  -0.001944  -0.000106   0.000095   0.000243  -0.000176
    13  O   -0.000178   0.000076   0.000051   0.000004  -0.000003   0.000005
    14  O    0.000025  -0.000088   0.000215   0.000018   0.000008   0.000001
    15  H    0.043990  -0.208775  -0.006057   0.002034   0.017698  -0.005229
    16  H   -0.005062   0.031304   0.002750  -0.000128  -0.001117   0.000382
    17  H    0.008170   0.001395   0.004087   0.000309  -0.000720   0.000088
    18  H   -0.097668   0.006490  -0.089804   0.017931   0.007021  -0.005539
    19  H    2.907702  -0.509122   0.028249  -0.102827  -0.007757   0.037029
    20  H   -0.509122   3.099953   0.124438   0.012673  -0.079251   0.020956
    21  H    0.028249   0.124438   3.495030  -0.108812   0.140668  -0.119399
    22  H   -0.102827   0.012673  -0.108812   2.110849  -0.338858  -0.544651
    23  H   -0.007757  -0.079251   0.140668  -0.338858   1.941188  -0.483866
    24  H    0.037029   0.020956  -0.119399  -0.544651  -0.483866   2.196980
    25  H    0.015796   0.037404   0.163713  -0.000621  -0.009133  -0.021904
    26  H    0.037221  -0.019982  -0.087378  -0.031080   0.010819   0.029716
    27  H   -0.017414   0.008859  -0.069114   0.042288  -0.013989  -0.051960
    28  H    0.000141  -0.002490  -0.000707   0.000075   0.000051  -0.000050
    29  C   -0.002113  -0.001882   0.001702   0.000036   0.000139  -0.000111
    30  H   -0.000010  -0.000008   0.000031  -0.000001   0.000010  -0.000005
    31  H   -0.000691  -0.000012   0.000504  -0.000046   0.000018   0.000003
    32  H    0.000390   0.000184  -0.000024   0.000004  -0.000002  -0.000009
    33  H   -0.000839  -0.000861   0.000356   0.000037   0.000056  -0.000024
              25         26         27         28         29         30
     1  C    0.231957  -0.035160  -0.020325  -0.067067   0.001704  -0.006247
     2  C   -0.190327   0.060746   0.064829  -0.003227  -0.222992  -0.001243
     3  C    0.110222  -0.239168   0.050201   0.058539   0.425932  -0.006057
     4  C   -0.005435   0.090707  -0.007434   0.972195  -0.648546   0.044944
     5  C    0.023324   0.000386   0.000067  -0.160468  -0.743945  -0.029007
     6  C   -0.104700   0.243044  -0.093901  -0.059786   0.042722   0.007551
     7  C   -0.265750  -0.246377   0.105568  -0.008316  -0.082877  -0.000266
     8  C    0.014758   0.410234  -0.108136   0.003610  -0.006140  -0.000083
     9  C   -0.117509  -0.114512   0.119831   0.000125  -0.000150   0.000035
    10  C    0.184845   0.016401   0.011217  -0.000906  -0.001080  -0.000121
    11  C   -0.002196  -0.004910  -0.000245  -2.110507   0.412279   0.004225
    12  C    0.000369  -0.001648   0.001533   0.255088   0.138579  -0.055760
    13  O    0.000002  -0.000016  -0.000062  -0.007057  -0.003373  -0.044719
    14  O   -0.000052  -0.001210  -0.000051  -0.048699  -0.012859   0.257778
    15  H   -0.033466   0.001225   0.012570   0.011741   0.010471   0.000104
    16  H    0.004259  -0.005751  -0.002379  -0.238294  -0.000327  -0.001065
    17  H    0.002365  -0.006646  -0.001040  -0.020795   0.019828   0.002648
    18  H   -0.015128   0.026320   0.005214   0.005235   0.002177   0.000045
    19  H    0.015796   0.037221  -0.017414   0.000141  -0.002113  -0.000010
    20  H    0.037404  -0.019982   0.008859  -0.002490  -0.001882  -0.000008
    21  H    0.163713  -0.087378  -0.069114  -0.000707   0.001702   0.000031
    22  H   -0.000621  -0.031080   0.042288   0.000075   0.000036  -0.000001
    23  H   -0.009133   0.010819  -0.013989   0.000051   0.000139   0.000010
    24  H   -0.021904   0.029716  -0.051960  -0.000050  -0.000111  -0.000005
    25  H    2.046131  -0.350277  -0.495222  -0.000656   0.000386   0.000025
    26  H   -0.350277   2.244554  -0.656686  -0.000344   0.001580   0.000029
    27  H   -0.495222  -0.656686   2.488787   0.000501  -0.000259  -0.000062
    28  H   -0.000656  -0.000344   0.000501   2.938973   0.104111   0.008658
    29  C    0.000386   0.001580  -0.000259   0.104111   5.062232   0.013413
    30  H    0.000025   0.000029  -0.000062   0.008658   0.013413   0.663257
    31  H   -0.000041   0.000156  -0.000073   0.098004   0.626214   0.003735
    32  H    0.000057   0.000293   0.000026   0.002393  -0.478720   0.000014
    33  H    0.000043  -0.000705  -0.000031  -0.023908  -0.035256  -0.000878
              31         32         33
     1  C    0.036577  -0.050849   0.071328
     2  C   -0.096480   0.075993  -0.068631
     3  C    0.201132  -0.388120   0.285008
     4  C    0.023467   1.255099  -1.024324
     5  C   -0.413729   0.227733   0.072739
     6  C   -0.058956  -0.000500  -0.016410
     7  C   -0.012839   0.004139  -0.022852
     8  C    0.000620  -0.000960   0.000421
     9  C   -0.000031  -0.000060   0.000089
    10  C   -0.000974   0.000366  -0.000489
    11  C   -0.309262  -0.729796   0.977279
    12  C    0.099201   0.023315  -0.172623
    13  O   -0.000487  -0.001437   0.023423
    14  O   -0.014690   0.002758   0.008711
    15  H   -0.001371   0.000231   0.004418
    16  H    0.010769   0.003005  -0.015050
    17  H   -0.108365   0.016648   0.015465
    18  H    0.002773  -0.001730  -0.002498
    19  H   -0.000691   0.000390  -0.000839
    20  H   -0.000012   0.000184  -0.000861
    21  H    0.000504  -0.000024   0.000356
    22  H   -0.000046   0.000004   0.000037
    23  H    0.000018  -0.000002   0.000056
    24  H    0.000003  -0.000009  -0.000024
    25  H   -0.000041   0.000057   0.000043
    26  H    0.000156   0.000293  -0.000705
    27  H   -0.000073   0.000026  -0.000031
    28  H    0.098004   0.002393  -0.023908
    29  C    0.626214  -0.478720  -0.035256
    30  H    0.003735   0.000014  -0.000878
    31  H    1.935472  -0.415226  -0.370759
    32  H   -0.415226   2.287995  -0.451461
    33  H   -0.370759  -0.451461   2.057293
 Mulliken charges:
               1
     1  C   -0.031956
     2  C    1.123154
     3  C    0.312405
     4  C    0.523576
     5  C    1.358209
     6  C    0.723695
     7  C    1.971723
     8  C   -0.618922
     9  C    1.369505
    10  C    1.460691
    11  C    0.439590
    12  C    0.875817
    13  O   -0.540862
    14  O   -0.494287
    15  H   -1.070209
    16  H   -1.080479
    17  H   -1.150233
    18  H   -1.206984
    19  H   -0.665076
    20  H   -0.626069
    21  H   -0.743811
    22  H   -0.311897
    23  H   -0.229934
    24  H   -0.304290
    25  H   -0.223238
    26  H   -0.371579
    27  H   -0.373107
    28  H   -0.706162
    29  C    1.377126
    30  H    0.139031
    31  H   -0.234615
    32  H   -0.381748
    33  H   -0.309065
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.102165
     2  C    1.123154
     3  C   -0.768074
     4  C    0.523576
     5  C    0.207976
     6  C   -0.483289
     7  C    0.680578
     8  C   -1.362733
     9  C    0.523385
    10  C    0.492766
    11  C   -0.266572
    12  C    0.875817
    13  O   -0.540862
    14  O   -0.355256
    29  C    0.451698
 Electronic spatial extent (au):  <R**2>=           4604.2524
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0661    Y=             -0.0793    Z=              1.2293  Tot=              1.6291
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -92.5225   YY=            -90.3033   ZZ=            -93.0315
   XY=             -0.1448   XZ=             -6.6786   YZ=             -0.1491
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5701   YY=              1.6492   ZZ=             -1.0791
   XY=             -0.1448   XZ=             -6.6786   YZ=             -0.1491
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.4141  YYY=             39.7091  ZZZ=              3.6828  XYY=            -26.5767
  XXY=              3.0376  XXZ=             26.1180  XZZ=              7.8155  YZZ=             -6.2636
  YYZ=             -2.8207  XYZ=             -4.8007
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5101.5875 YYYY=           -659.9412 ZZZZ=           -533.3270 XXXY=            -38.4881
 XXXZ=            -95.2390 YYYX=           -111.2818 YYYZ=             -2.8293 ZZZX=            -12.6813
 ZZZY=              0.5613 XXYY=           -887.0177 XXZZ=           -976.3569 YYZZ=           -227.8474
 XXYZ=             10.9622 YYXZ=             -4.8523 ZZXY=              4.6329
 N-N= 9.729343982888D+02 E-N=-3.473286856358D+03  KE= 6.529443550664D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 15:29:53 2021, MaxMem=  6442450944 cpu:               5.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.03530702D-01-1.96657508D-03 4.77743365D-01
 Polarizability= 2.06967458D+02-4.63355540D-01 1.26884029D+02
                 2.01431848D-01-5.06064516D-02 1.45142815D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2487   -0.2465       -0.5447   -0.5426
 2      0.2487    0.2465       -0.0259   -0.0257      -44.7888  -44.7880
 3      0.5447    0.5426       35.5579   35.5567        0.0252    0.0257
 4      0.0259    0.0257       -0.0000    0.0000        0.5405    0.5426
 5      9.2309    9.2313       -0.5405   -0.5426       -0.2491   -0.2465
 6     -0.0252   -0.0257        0.2491    0.2465        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7396    0.7396       -1.6279   -1.6279
 2      0.0771    0.0771        0.0000    0.0000       -1.6279   -1.6279
 3      0.0771    0.0771        0.7396    0.7396       -0.0000    0.0000
 4      0.7396    0.7396       -0.0771   -0.0771     -134.3639 -134.3639
 5      1.6279    1.6279      106.6701  106.6701        0.0771    0.0771
 6     27.6938   27.6938       -1.6279   -1.6279       -0.7396   -0.7396
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2279    0.0000        0.8361    0.9861        2.1171    2.1706
 2     -1.1214   -0.9861        0.0319    0.1027      179.0206  179.1519
 3     -2.2589   -2.1706     -142.1913 -142.2268       -0.0701   -0.1027
 4     -0.1704   -0.1027        0.0581    0.0000       -2.5119   -2.1706
 5    -36.8449  -36.9251        2.6741    2.1706        1.0834    0.9861
 6      0.1021    0.1027       -1.1069   -0.9861       -0.0875    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1322    0.0000      -83.8618  -83.6754       49.5860   49.7115
 2     83.8417   83.6754       12.3713   12.5595      -25.0966  -25.6220
 3    -49.3485  -49.7115       10.0728   11.2142      -12.9520  -12.5595
 4    -12.3418  -12.5595        0.7222    0.0000      -50.5751  -49.7115
 5     14.6029   14.4078       49.6531   49.7115      -84.0378  -83.6754
 6     13.3174   12.5595       85.0414   83.6754       -0.6432    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -25.5403  -25.4962      -11.3646  -11.0982      -63.9058  -64.0646
 2    -38.2566  -37.9663      -72.2082  -71.6352      -63.9820  -64.0646
 3    -38.2417  -37.9663      -11.5569  -11.0982     -115.8290 -115.9840
 4     60.8114   60.5370       12.9762   12.4701      -14.4907  -14.6106
 5    -51.3633  -51.9194        7.3383    7.1882      -12.1474  -12.4701
 6      7.3590    7.4225       52.0891   51.9194      -60.0449  -60.5370
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3361   -0.0008   -0.0008   -0.0007    2.5083    3.8064
 Low frequencies ---   25.4144   35.9025   46.6889
 Diagonal vibrational polarizability:
       45.5261352      24.1615779       6.1822011
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     25.4009                35.8993                46.6858
 Red. masses --      3.4921                 6.1249                 4.4143
 Frc consts  --      0.0013                 0.0047                 0.0057
 IR Inten    --      0.2749                 0.9499                 0.7728
 RamAct Fr= 1--      0.2916                 1.0118                 1.6330
  Dep-P Fr= 1--      0.7382                 0.6862                 0.7441
  Dep-U Fr= 1--      0.8494                 0.8139                 0.8533
 Alpha2 Fr= 1--      0.0001                 0.0011                 0.0002
 Beta2  Fr= 1--      0.0413                 0.1372                 0.2322
 AlphaG Fr= 1--      0.0004                 0.0059                 0.0023
 Gamma2 Fr= 1--     -0.6422                 0.0036                 0.7866
 Delta2 Fr= 1--     -0.6510                 0.3549                 0.1272
 Raman1 Fr= 1--       1.167                  4.047                  6.532
 ROA1   Fr= 1--     -82.481                 11.699                 79.587
 CID1   Fr= 1--     -70.706                  2.891                 12.184
 Raman2 Fr= 1--       0.495                  1.647                  2.787
 ROA2   Fr= 1--     -10.204                 -2.753                 17.862
 CID2   Fr= 1--     -20.596                 -1.672                  6.409
 Raman3 Fr= 1--       0.991                  3.294                  5.574
 ROA3   Fr= 1--     -82.481                 11.699                 79.587
 CID3   Fr= 1--     -83.243                  3.552                 14.279
 RC180  Fr= 1--       0.699                  0.628                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.05    -0.00  -0.05  -0.01     0.02   0.06  -0.02
     2   6    -0.00   0.02  -0.06    -0.01  -0.07  -0.02    -0.00  -0.06  -0.03
     3   6     0.03  -0.01  -0.01    -0.00  -0.06  -0.01     0.03   0.07  -0.00
     4   6     0.01   0.05   0.01    -0.01  -0.08  -0.01     0.00  -0.04   0.00
     5   6    -0.02   0.10  -0.00    -0.01  -0.12  -0.01    -0.03  -0.18  -0.02
     6   6    -0.02   0.08  -0.04    -0.01  -0.11  -0.02    -0.03  -0.19  -0.03
     7   6    -0.01  -0.00  -0.10    -0.00   0.01  -0.02    -0.00  -0.00  -0.06
     8   6     0.02   0.02   0.06    -0.08   0.06   0.02    -0.07   0.06   0.04
     9   6     0.01   0.01  -0.02    -0.06   0.17   0.06    -0.08   0.14  -0.09
    10   6     0.10  -0.12   0.21    -0.18   0.03   0.04    -0.03  -0.07   0.16
    11   6     0.01   0.04   0.05     0.00  -0.00  -0.00     0.01   0.02   0.03
    12   6    -0.04  -0.02  -0.04     0.08   0.03  -0.00     0.08   0.03  -0.01
    13   8    -0.11  -0.13  -0.03    -0.14   0.01   0.07     0.27   0.05  -0.07
    14   8    -0.00   0.06  -0.14     0.45   0.07  -0.10    -0.10   0.01   0.04
    15   1     0.04  -0.08  -0.07     0.01  -0.03  -0.02     0.04   0.15  -0.02
    16   1     0.05  -0.05  -0.00     0.01  -0.03  -0.01     0.05   0.17   0.01
    17   1    -0.04   0.14   0.02    -0.02  -0.14  -0.01    -0.05  -0.27  -0.01
    18   1    -0.04   0.12  -0.05    -0.02  -0.13  -0.02    -0.05  -0.29  -0.04
    19   1    -0.04   0.09  -0.19     0.04   0.05  -0.04     0.01   0.08  -0.13
    20   1    -0.00  -0.13  -0.16     0.02   0.01  -0.03     0.03  -0.06  -0.10
    21   1     0.00   0.16   0.13    -0.09   0.05   0.02    -0.15   0.14   0.11
    22   1    -0.04   0.12  -0.13     0.00   0.19   0.05    -0.11   0.24  -0.18
    23   1     0.03  -0.13  -0.10    -0.06   0.19   0.06    -0.00   0.06  -0.17
    24   1     0.03   0.03   0.09    -0.12   0.20   0.08    -0.13   0.19  -0.02
    25   1     0.12  -0.27   0.14    -0.18   0.04   0.04     0.05  -0.15   0.09
    26   1     0.11  -0.11   0.27    -0.19  -0.03   0.01    -0.02  -0.12   0.25
    27   1     0.12  -0.11   0.32    -0.22   0.06   0.06    -0.07  -0.03   0.22
    28   1     0.04   0.12   0.05     0.01   0.02  -0.00     0.03   0.06   0.03
    29   6     0.02  -0.03   0.17    -0.07   0.04   0.01    -0.06   0.05   0.06
    30   1    -0.04   0.01  -0.20     0.48   0.08  -0.10    -0.04   0.02   0.01
    31   1    -0.00  -0.11   0.17    -0.08   0.00   0.02    -0.10   0.02   0.06
    32   1     0.02  -0.04   0.19    -0.07   0.11   0.01    -0.06   0.10   0.09
    33   1     0.05   0.02   0.24    -0.14   0.02   0.03    -0.10   0.04   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --     53.2514                63.8777               113.7648
 Red. masses --      3.7305                 3.2120                 4.4565
 Frc consts  --      0.0062                 0.0077                 0.0340
 IR Inten    --      0.4958                 0.0398                 0.0880
 RamAct Fr= 1--      3.3442                 2.1077                 2.4950
  Dep-P Fr= 1--      0.7327                 0.7408                 0.7161
  Dep-U Fr= 1--      0.8457                 0.8511                 0.8346
 Alpha2 Fr= 1--      0.0010                 0.0003                 0.0015
 Beta2  Fr= 1--      0.4714                 0.2990                 0.3471
 AlphaG Fr= 1--     -0.0010                 0.0001                -0.0036
 Gamma2 Fr= 1--      0.7681                -1.0230                 1.1700
 Delta2 Fr= 1--      0.9476                -0.6310                 0.7051
 Raman1 Fr= 1--      13.377                  8.431                  9.980
 ROA1   Fr= 1--     104.057               -118.397                134.879
 CID1   Fr= 1--       7.779                -14.043                 13.515
 Raman2 Fr= 1--       5.656                  3.588                  4.165
 ROA2   Fr= 1--      10.853                -19.503                 22.439
 CID2   Fr= 1--       1.919                 -5.436                  5.388
 Raman3 Fr= 1--      11.313                  7.176                  8.329
 ROA3   Fr= 1--     104.057               -118.397                134.879
 CID3   Fr= 1--       9.198                -16.499                 16.193
 RC180  Fr= 1--       0.691                  0.702                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.03     0.05   0.12  -0.08    -0.04   0.06  -0.03
     2   6    -0.01   0.06   0.03     0.01   0.01  -0.10    -0.06   0.15  -0.04
     3   6    -0.03   0.16  -0.00     0.05   0.13  -0.05    -0.05  -0.07  -0.00
     4   6    -0.02  -0.01  -0.03     0.01   0.02  -0.04    -0.08  -0.11   0.01
     5   6    -0.01  -0.11  -0.02    -0.02  -0.07  -0.06    -0.10  -0.02   0.00
     6   6    -0.00  -0.08   0.01    -0.03  -0.08  -0.09    -0.09   0.12  -0.02
     7   6    -0.01   0.03   0.04     0.01  -0.02  -0.11    -0.06   0.13  -0.05
     8   6     0.03   0.01   0.04     0.06  -0.02   0.01     0.07   0.07  -0.01
     9   6    -0.00  -0.06  -0.11     0.10  -0.04   0.24     0.06  -0.11   0.07
    10   6     0.19  -0.03   0.11    -0.09  -0.02  -0.02     0.14   0.09  -0.01
    11   6    -0.03  -0.06  -0.06     0.02   0.01   0.02    -0.08  -0.08   0.04
    12   6    -0.05  -0.03   0.02    -0.03  -0.00   0.04     0.07  -0.05   0.00
    13   8    -0.16   0.02   0.06    -0.07   0.00   0.06     0.19  -0.03  -0.04
    14   8     0.08  -0.05   0.04    -0.05  -0.01   0.06     0.12  -0.06  -0.00
    15   1    -0.03   0.30   0.05     0.07   0.19  -0.09    -0.02   0.07  -0.05
    16   1    -0.04   0.25  -0.00     0.08   0.21  -0.03    -0.04  -0.13   0.00
    17   1    -0.00  -0.22  -0.04    -0.05  -0.15  -0.05    -0.13  -0.03   0.02
    18   1     0.01  -0.17   0.01    -0.06  -0.16  -0.11    -0.11   0.18  -0.03
    19   1    -0.03   0.03   0.04    -0.00   0.04  -0.16    -0.10   0.13  -0.06
    20   1    -0.02   0.02   0.04    -0.02  -0.10  -0.13    -0.09   0.07  -0.06
    21   1    -0.03   0.08   0.10     0.20  -0.00  -0.06     0.16   0.12  -0.03
    22   1    -0.12  -0.01  -0.18     0.22  -0.06   0.28     0.03  -0.12   0.08
    23   1     0.05  -0.15  -0.19    -0.05  -0.03   0.33    -0.04  -0.18   0.10
    24   1     0.03  -0.07  -0.09     0.15  -0.05   0.30     0.20  -0.17   0.12
    25   1     0.29  -0.09   0.04    -0.27  -0.05   0.06     0.06   0.03   0.00
    26   1     0.22   0.00   0.24    -0.11   0.04  -0.20     0.15   0.20  -0.06
    27   1     0.20  -0.04   0.10     0.01  -0.04   0.07     0.25   0.03   0.01
    28   1    -0.06  -0.13  -0.06     0.06  -0.00   0.03    -0.06  -0.05   0.04
    29   6     0.01  -0.03  -0.15     0.01  -0.00   0.05    -0.18  -0.04   0.07
    30   1     0.06  -0.03   0.09    -0.09  -0.01   0.07     0.26  -0.03  -0.03
    31   1     0.02   0.04  -0.15    -0.05   0.00   0.04    -0.19  -0.08   0.07
    32   1     0.01  -0.06  -0.16     0.01  -0.02   0.10    -0.17   0.06   0.07
    33   1     0.02  -0.06  -0.20     0.05  -0.00   0.03    -0.26  -0.06   0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    152.6235               208.2750               224.7085
 Red. masses --      3.8044                 2.3701                 1.2073
 Frc consts  --      0.0522                 0.0606                 0.0359
 IR Inten    --      0.0890                 0.5985                 0.4957
 RamAct Fr= 1--      0.8008                 0.2962                 0.0606
  Dep-P Fr= 1--      0.1183                 0.1748                 0.6131
  Dep-U Fr= 1--      0.2116                 0.2975                 0.7602
 Alpha2 Fr= 1--      0.0134                 0.0043                 0.0002
 Beta2  Fr= 1--      0.0282                 0.0147                 0.0077
 AlphaG Fr= 1--      0.0018                -0.0055                -0.0004
 Gamma2 Fr= 1--      0.0704                -0.2922                 0.0811
 Delta2 Fr= 1--     -0.0567                -0.0117                 0.0581
 Raman1 Fr= 1--       3.203                  1.185                  0.242
 ROA1   Fr= 1--       4.945                -28.421                  9.639
 CID1   Fr= 1--       1.544                -23.987                 39.763
 Raman2 Fr= 1--       0.339                  0.176                  0.092
 ROA2   Fr= 1--       2.144                 -6.918                  1.481
 CID2   Fr= 1--       6.326                -39.252                 16.071
 Raman3 Fr= 1--       0.678                  0.353                  0.184
 ROA3   Fr= 1--       4.945                -28.421                  9.639
 CID3   Fr= 1--       7.296                -80.623                 52.309
 RC180  Fr= 1--      -0.577                 -0.405                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10   0.03    -0.04   0.05  -0.02    -0.01   0.03  -0.01
     2   6    -0.05   0.03  -0.00    -0.01   0.01  -0.00     0.01   0.01   0.00
     3   6     0.02   0.13   0.09    -0.04   0.07  -0.08    -0.01   0.03  -0.02
     4   6    -0.01   0.08   0.10     0.01   0.04  -0.11     0.00   0.00  -0.03
     5   6    -0.06   0.11   0.08     0.04   0.07  -0.09     0.02   0.02  -0.03
     6   6    -0.07   0.09   0.03     0.04   0.06  -0.04     0.02   0.03  -0.01
     7   6    -0.08  -0.05  -0.10    -0.01  -0.04   0.09     0.00  -0.02   0.02
     8   6    -0.07  -0.04  -0.04    -0.04  -0.04   0.04    -0.00  -0.02   0.01
     9   6    -0.07  -0.03  -0.00    -0.05  -0.02  -0.01    -0.00   0.01  -0.02
    10   6    -0.13  -0.10   0.00    -0.04  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01  -0.04   0.03     0.02  -0.02  -0.03     0.00  -0.01  -0.02
    12   6     0.05  -0.04   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.01
    13   8     0.13  -0.04  -0.02     0.05   0.04  -0.01    -0.00   0.03  -0.00
    14   8     0.10  -0.04  -0.01     0.06  -0.07   0.05     0.01  -0.04   0.03
    15   1     0.05   0.10   0.00    -0.07   0.06  -0.00    -0.02   0.04   0.00
    16   1     0.05   0.14   0.10    -0.08   0.09  -0.10    -0.02   0.04  -0.03
    17   1    -0.10   0.12   0.11     0.06   0.09  -0.11     0.03   0.03  -0.03
    18   1    -0.10   0.08   0.01     0.09   0.06  -0.02     0.04   0.04  -0.00
    19   1    -0.16   0.00  -0.17     0.03  -0.09   0.16     0.00  -0.03   0.03
    20   1    -0.03  -0.13  -0.16    -0.07   0.03   0.15    -0.01  -0.01   0.03
    21   1    -0.05  -0.01  -0.03    -0.08  -0.08   0.04    -0.02  -0.03   0.01
    22   1    -0.05  -0.01  -0.02    -0.07  -0.04   0.00     0.00  -0.10   0.09
    23   1    -0.09  -0.05  -0.00    -0.00   0.03  -0.02     0.06   0.18   0.03
    24   1    -0.07  -0.02   0.03    -0.08  -0.01  -0.07    -0.07   0.00  -0.18
    25   1    -0.24  -0.18   0.03     0.07   0.06  -0.01    -0.08  -0.06   0.02
    26   1    -0.14  -0.05  -0.09    -0.05  -0.11   0.09    -0.02   0.01  -0.04
    27   1    -0.05  -0.11   0.11    -0.15   0.02  -0.06     0.03  -0.04   0.05
    28   1    -0.12  -0.10   0.01     0.11   0.02  -0.01     0.02   0.02  -0.02
    29   6     0.18  -0.08  -0.12     0.00  -0.09   0.14    -0.02  -0.03   0.05
    30   1     0.20  -0.02  -0.04     0.13  -0.02   0.08     0.01  -0.02   0.06
    31   1     0.32  -0.00  -0.10    -0.37   0.01   0.07     0.36  -0.39   0.13
    32   1     0.15  -0.22  -0.25     0.04  -0.29   0.54    -0.06   0.24  -0.38
    33   1     0.23  -0.07  -0.13     0.32  -0.06  -0.04    -0.38   0.04   0.45
                     10                     11                     12
                      A                      A                      A
 Frequencies --    226.3691               249.3045               251.4715
 Red. masses --      1.0858                 2.2589                 1.2286
 Frc consts  --      0.0328                 0.0827                 0.0458
 IR Inten    --      0.0944                 0.3138                 0.0769
 RamAct Fr= 1--      0.1794                 1.9070                 0.1462
  Dep-P Fr= 1--      0.6498                 0.5043                 0.5120
  Dep-U Fr= 1--      0.7878                 0.6704                 0.6772
 Alpha2 Fr= 1--      0.0003                 0.0092                 0.0007
 Beta2  Fr= 1--      0.0236                 0.2131                 0.0165
 AlphaG Fr= 1--     -0.0021                 0.0080                 0.0079
 Gamma2 Fr= 1--     -0.1570                 0.2853                -0.2862
 Delta2 Fr= 1--     -0.0577                -0.0211                 0.0128
 Raman1 Fr= 1--       0.718                  7.628                  0.585
 ROA1   Fr= 1--     -16.919                 26.710                -27.071
 CID1   Fr= 1--     -23.575                  3.502                -46.302
 Raman2 Fr= 1--       0.283                  2.557                  0.198
 ROA2   Fr= 1--      -3.307                  7.015                 -6.972
 CID2   Fr= 1--     -11.698                  2.743                -35.216
 Raman3 Fr= 1--       0.565                  5.114                  0.396
 ROA3   Fr= 1--     -16.919                 26.710                -27.071
 CID3   Fr= 1--     -29.926                  5.223                -68.369
 RC180  Fr= 1--       0.576                  0.341                  0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.03  -0.08  -0.02    -0.01  -0.02  -0.03
     2   6     0.01   0.01   0.01    -0.04  -0.03  -0.02    -0.02  -0.02  -0.04
     3   6    -0.00  -0.01   0.01    -0.02  -0.05  -0.01    -0.00  -0.01   0.00
     4   6    -0.00  -0.01   0.00     0.00   0.03  -0.01    -0.01   0.02   0.02
     5   6     0.00  -0.00   0.01    -0.02  -0.05  -0.03    -0.04  -0.01   0.00
     6   6     0.01   0.01   0.01    -0.03  -0.09  -0.03    -0.04  -0.03  -0.03
     7   6     0.01  -0.01  -0.01    -0.04   0.07   0.02    -0.02   0.00  -0.02
     8   6     0.01  -0.01  -0.00    -0.04   0.07   0.03     0.00   0.00   0.02
     9   6     0.01   0.03  -0.03    -0.07  -0.07   0.00     0.01   0.01   0.04
    10   6     0.01  -0.03   0.02     0.05   0.10   0.02     0.05   0.02   0.01
    11   6    -0.01  -0.01   0.00     0.02   0.04  -0.01    -0.01   0.01   0.02
    12   6    -0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01   0.01
    13   8    -0.00  -0.01  -0.00    -0.00   0.08  -0.01     0.01   0.00   0.00
    14   8    -0.00   0.00  -0.01     0.01   0.02   0.01     0.00   0.02  -0.00
    15   1    -0.00   0.01   0.01    -0.02  -0.11  -0.03     0.01  -0.04  -0.04
    16   1    -0.00  -0.01   0.01    -0.03  -0.06  -0.02     0.02  -0.01   0.01
    17   1     0.01  -0.00   0.00    -0.03  -0.05  -0.02    -0.06  -0.01   0.02
    18   1     0.01   0.01   0.01    -0.02  -0.12  -0.03    -0.07  -0.04  -0.04
    19   1    -0.02   0.00  -0.02     0.02   0.08   0.02    -0.00   0.03  -0.03
    20   1     0.02  -0.03  -0.02    -0.04   0.09   0.02    -0.04  -0.03  -0.02
    21   1     0.00   0.00   0.00    -0.03   0.09   0.03     0.00   0.01   0.02
    22   1     0.03  -0.27   0.24    -0.17  -0.11   0.02     0.04  -0.28   0.29
    23   1     0.12   0.44   0.09    -0.10  -0.11   0.00     0.06   0.37   0.17
    24   1    -0.11  -0.02  -0.43     0.03  -0.13  -0.03    -0.07  -0.05  -0.31
    25   1    -0.27  -0.20   0.08    -0.25  -0.06   0.10     0.42   0.20  -0.09
    26   1     0.01   0.19  -0.19     0.07   0.43  -0.19     0.06  -0.22   0.31
    27   1     0.28  -0.12   0.19     0.40  -0.04   0.14    -0.25   0.12  -0.19
    28   1    -0.00  -0.01   0.00     0.02   0.06  -0.01    -0.03  -0.00   0.01
    29   6    -0.03   0.02  -0.01     0.17  -0.07   0.05     0.05  -0.02  -0.01
    30   1    -0.01  -0.00  -0.02     0.01   0.03   0.03     0.02   0.01  -0.02
    31   1    -0.19   0.14  -0.05     0.26  -0.17   0.07     0.10  -0.01  -0.00
    32   1    -0.02  -0.04   0.15     0.15  -0.20  -0.03     0.04  -0.07  -0.05
    33   1     0.07  -0.02  -0.16     0.26   0.02   0.17     0.08   0.00   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    289.0495               322.6360               354.2302
 Red. masses --      3.7526                 2.6800                 3.3376
 Frc consts  --      0.1847                 0.1644                 0.2468
 IR Inten    --      1.5181                 0.2158                 1.2678
 RamAct Fr= 1--      1.8554                 0.4348                 2.4241
  Dep-P Fr= 1--      0.1151                 0.4810                 0.5119
  Dep-U Fr= 1--      0.2064                 0.6496                 0.6772
 Alpha2 Fr= 1--      0.0313                 0.0023                 0.0113
 Beta2  Fr= 1--      0.0638                 0.0471                 0.2736
 AlphaG Fr= 1--      0.0097                -0.0042                -0.0145
 Gamma2 Fr= 1--     -0.2271                -0.1249                 0.3173
 Delta2 Fr= 1--     -0.2908                -0.0951                 0.0507
 Raman1 Fr= 1--       7.422                  1.739                  9.696
 ROA1   Fr= 1--     -31.107                -15.038                 32.085
 CID1   Fr= 1--      -4.191                 -8.647                  3.309
 Raman2 Fr= 1--       0.766                  0.565                  3.283
 ROA2   Fr= 1--      -3.124                 -2.237                  7.209
 CID2   Fr= 1--      -4.078                 -3.961                  2.196
 Raman3 Fr= 1--       1.532                  1.130                  6.566
 ROA3   Fr= 1--     -31.107                -15.038                 32.085
 CID3   Fr= 1--     -20.307                -13.311                  4.887
 RC180  Fr= 1--      -0.587                  0.299                  0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.06    -0.06  -0.03  -0.07    -0.03   0.07  -0.00
     2   6     0.01   0.00   0.06    -0.04  -0.05  -0.06    -0.01   0.19   0.01
     3   6    -0.05  -0.02   0.05    -0.05   0.04  -0.04    -0.04  -0.12  -0.03
     4   6    -0.07   0.00   0.05    -0.06   0.06  -0.02    -0.01  -0.12  -0.03
     5   6    -0.04  -0.03   0.08    -0.07   0.04  -0.03    -0.03  -0.15  -0.04
     6   6    -0.03  -0.03   0.08    -0.06  -0.03  -0.06    -0.00   0.08  -0.01
     7   6     0.03  -0.03  -0.08     0.02  -0.06   0.12    -0.01   0.08   0.08
     8   6     0.10  -0.03  -0.07     0.05  -0.08   0.03     0.06  -0.01  -0.05
     9   6     0.15   0.14   0.00     0.09   0.14  -0.01     0.07  -0.02  -0.05
    10   6     0.05  -0.07  -0.05     0.08  -0.00  -0.04    -0.11  -0.14   0.02
    11   6    -0.09   0.01  -0.07    -0.06  -0.00   0.07     0.02   0.02   0.03
    12   6    -0.06   0.04  -0.10    -0.02  -0.01   0.08     0.02   0.05   0.05
    13   8    -0.05   0.21  -0.09     0.07  -0.09   0.04     0.01   0.00   0.05
    14   8     0.01  -0.05   0.01     0.01   0.06  -0.00    -0.03   0.13  -0.02
    15   1    -0.06  -0.03   0.07    -0.07  -0.04  -0.07    -0.03   0.08  -0.00
    16   1    -0.04  -0.04   0.06    -0.02   0.05  -0.03    -0.07  -0.18  -0.04
    17   1    -0.02  -0.05   0.06    -0.07   0.07  -0.02    -0.03  -0.25  -0.05
    18   1    -0.05  -0.04   0.07    -0.10  -0.05  -0.07     0.02   0.11  -0.01
    19   1    -0.08  -0.01  -0.13     0.14  -0.19   0.27    -0.02  -0.10   0.23
    20   1     0.10  -0.09  -0.13    -0.14   0.08   0.25    -0.10   0.23   0.18
    21   1     0.12  -0.02  -0.08     0.01  -0.14   0.02     0.07  -0.02  -0.06
    22   1     0.32   0.28  -0.08     0.22   0.33  -0.14     0.04  -0.04  -0.04
    23   1     0.14   0.11  -0.01     0.17   0.08  -0.08     0.09  -0.01  -0.06
    24   1     0.03   0.25   0.16    -0.09   0.28   0.16     0.07  -0.03  -0.09
    25   1     0.06  -0.09  -0.06    -0.07  -0.03   0.02    -0.10  -0.18  -0.01
    26   1     0.04  -0.13  -0.04     0.09   0.18  -0.15    -0.16  -0.38  -0.01
    27   1     0.01  -0.05  -0.01     0.27  -0.09  -0.04    -0.29  -0.01   0.17
    28   1    -0.16   0.10  -0.09    -0.03  -0.07   0.08     0.05  -0.01   0.04
    29   6     0.02  -0.14   0.08     0.03  -0.01  -0.03     0.12  -0.02   0.01
    30   1     0.10   0.02   0.09     0.11   0.03  -0.09    -0.09   0.06  -0.11
    31   1    -0.06  -0.23   0.06     0.15   0.04  -0.01     0.19  -0.01   0.02
    32   1     0.02  -0.31   0.17     0.01  -0.06  -0.15     0.10  -0.15  -0.06
    33   1     0.21  -0.04   0.14     0.02  -0.01  -0.03     0.21   0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    384.3972               411.2754               419.7059
 Red. masses --      2.9772                 2.6923                 2.6777
 Frc consts  --      0.2592                 0.2683                 0.2779
 IR Inten    --      0.3760                 0.3163                 0.2616
 RamAct Fr= 1--      0.4275                 4.0999                 0.7241
  Dep-P Fr= 1--      0.1098                 0.1195                 0.1299
  Dep-U Fr= 1--      0.1979                 0.2135                 0.2299
 Alpha2 Fr= 1--      0.0073                 0.0684                 0.0118
 Beta2  Fr= 1--      0.0141                 0.1459                 0.0277
 AlphaG Fr= 1--      0.0145                 0.0659                -0.0555
 Gamma2 Fr= 1--      0.2574                 1.3959                -0.6091
 Delta2 Fr= 1--      0.0147                -0.2282                -0.1476
 Raman1 Fr= 1--       1.710                 16.400                  2.896
 ROA1   Fr= 1--      25.177                126.706                -63.199
 CID1   Fr= 1--      14.724                  7.726                -21.821
 Raman2 Fr= 1--       0.169                  1.750                  0.333
 ROA2   Fr= 1--       6.059                 35.328                -13.438
 CID2   Fr= 1--      35.813                 20.182                -40.358
 Raman3 Fr= 1--       0.338                  3.501                  0.666
 ROA3   Fr= 1--      25.177                126.706                -63.199
 CID3   Fr= 1--      74.402                 36.192                -94.900
 RC180  Fr= 1--      -0.604                 -0.573                 -0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01   0.11     0.03  -0.00  -0.01    -0.04  -0.18   0.00
     2   6    -0.03   0.00   0.14    -0.04   0.05  -0.03     0.01  -0.02   0.03
     3   6    -0.12  -0.02  -0.07     0.05   0.02   0.04    -0.01   0.18  -0.01
     4   6    -0.01   0.03  -0.13     0.05  -0.10   0.02    -0.02   0.00  -0.03
     5   6     0.06   0.02  -0.10    -0.01  -0.11  -0.00    -0.01  -0.17  -0.03
     6   6     0.05  -0.05   0.08    -0.00   0.14  -0.03     0.03   0.17   0.04
     7   6    -0.05   0.00  -0.12    -0.07  -0.05   0.03     0.02  -0.04  -0.05
     8   6    -0.04   0.01  -0.09    -0.13  -0.08  -0.05     0.04  -0.01   0.08
     9   6    -0.01   0.05   0.06    -0.11   0.08   0.10     0.03  -0.02  -0.04
    10   6     0.07  -0.03  -0.04     0.11  -0.04  -0.05    -0.03   0.06   0.01
    11   6     0.03   0.01   0.00     0.08   0.01  -0.02    -0.03  -0.01   0.01
    12   6     0.01   0.00   0.08     0.06   0.01  -0.05    -0.02   0.01   0.03
    13   8     0.04  -0.09   0.06    -0.04   0.03  -0.01     0.02  -0.01   0.02
    14   8     0.00   0.06   0.01    -0.01  -0.02  -0.01    -0.00   0.03  -0.00
    15   1    -0.20   0.02   0.18     0.09  -0.04  -0.05    -0.09  -0.38   0.01
    16   1    -0.25  -0.05  -0.13     0.06   0.09   0.05    -0.01   0.39  -0.01
    17   1     0.15   0.02  -0.16    -0.07  -0.19   0.03     0.00  -0.36  -0.06
    18   1     0.18  -0.12   0.14     0.01   0.27  -0.02     0.06   0.36   0.06
    19   1    -0.28   0.12  -0.30    -0.05  -0.14   0.11    -0.06   0.11  -0.20
    20   1     0.15  -0.17  -0.29    -0.12   0.03   0.09     0.06  -0.23  -0.15
    21   1    -0.00   0.06  -0.09    -0.15  -0.10  -0.04     0.05   0.00   0.08
    22   1     0.15   0.07   0.08     0.15   0.15   0.09    -0.08  -0.01  -0.07
    23   1    -0.13   0.07   0.14    -0.21   0.12   0.17     0.14  -0.04  -0.11
    24   1    -0.02   0.08   0.15    -0.20   0.17   0.25     0.01  -0.02  -0.09
    25   1     0.16  -0.11  -0.11     0.19  -0.13  -0.12    -0.08   0.19   0.08
    26   1     0.10   0.03   0.08     0.18   0.20   0.11    -0.05   0.04  -0.09
    27   1     0.11  -0.05  -0.04     0.30  -0.16  -0.13    -0.06   0.06  -0.07
    28   1     0.13  -0.05   0.03     0.06   0.06  -0.03    -0.00  -0.04   0.01
    29   6     0.04   0.01   0.00     0.03   0.04   0.01     0.00  -0.02  -0.01
    30   1     0.01   0.02  -0.05    -0.18  -0.03   0.06     0.05   0.02  -0.05
    31   1     0.08  -0.01   0.01    -0.02   0.03   0.00     0.02  -0.02  -0.00
    32   1     0.03   0.01  -0.04     0.04   0.07   0.06    -0.00  -0.05  -0.03
    33   1     0.03   0.03   0.04     0.02   0.03  -0.00     0.02  -0.01   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    425.4188               452.0293               550.3265
 Red. masses --      2.3733                 3.6892                 2.5000
 Frc consts  --      0.2531                 0.4441                 0.4461
 IR Inten    --      1.1152                 6.1238                11.2799
 RamAct Fr= 1--      0.9364                 2.1713                 1.6017
  Dep-P Fr= 1--      0.6626                 0.1289                 0.2820
  Dep-U Fr= 1--      0.7971                 0.2284                 0.4400
 Alpha2 Fr= 1--      0.0015                 0.0354                 0.0173
 Beta2  Fr= 1--      0.1244                 0.0826                 0.1174
 AlphaG Fr= 1--      0.0107                -0.0246                 0.0099
 Gamma2 Fr= 1--      0.4079                 0.2017                 0.5679
 Delta2 Fr= 1--      0.0280                 0.3116                 0.2528
 Raman1 Fr= 1--       3.746                  8.685                  6.407
 ROA1   Fr= 1--      40.058                 29.334                 62.607
 CID1   Fr= 1--      10.694                  3.377                  9.772
 Raman2 Fr= 1--       1.493                  0.992                  1.409
 ROA2   Fr= 1--       9.566                  2.348                 11.606
 CID2   Fr= 1--       6.408                  2.367                  8.235
 Raman3 Fr= 1--       2.986                  1.983                  2.819
 ROA3   Fr= 1--      40.058                 29.334                 62.607
 CID3   Fr= 1--      13.418                 14.789                 22.212
 RC180  Fr= 1--       0.594                 -0.543                 -0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.01     0.07   0.02  -0.03     0.05   0.03  -0.04
     2   6     0.00   0.03  -0.00     0.09  -0.09  -0.02     0.10   0.14   0.00
     3   6     0.01  -0.11  -0.01     0.06   0.04  -0.03     0.03  -0.07  -0.06
     4   6     0.00  -0.11  -0.01    -0.03  -0.06   0.00    -0.04   0.11   0.00
     5   6     0.00   0.02  -0.00     0.06   0.03   0.03     0.03  -0.07   0.01
     6   6     0.00   0.01  -0.01     0.07   0.02   0.02     0.06   0.02   0.02
     7   6    -0.02  -0.13  -0.04     0.09   0.00   0.00     0.06  -0.04   0.00
     8   6     0.01  -0.10   0.16    -0.08   0.05  -0.08    -0.04  -0.04   0.02
     9   6    -0.01   0.01  -0.02    -0.09  -0.02   0.05    -0.08  -0.00   0.02
    10   6    -0.00   0.10  -0.00     0.03  -0.02  -0.00     0.00  -0.01  -0.01
    11   6     0.01  -0.03  -0.01    -0.12  -0.11   0.01    -0.11   0.06   0.07
    12   6     0.01   0.03   0.02    -0.08   0.03   0.09    -0.15  -0.01   0.00
    13   8    -0.00   0.04   0.02     0.04   0.08   0.06     0.01  -0.02  -0.06
    14   8    -0.02   0.08  -0.03    -0.04   0.19  -0.07    -0.00  -0.06   0.03
    15   1     0.05   0.25   0.01     0.05   0.10  -0.01    -0.00  -0.14  -0.03
    16   1     0.00  -0.18  -0.01     0.12   0.12   0.00     0.06  -0.29  -0.05
    17   1     0.01   0.09   0.00     0.10   0.11   0.01     0.07  -0.29  -0.05
    18   1     0.00  -0.01  -0.01     0.04   0.13   0.01     0.01  -0.16  -0.00
    19   1    -0.15   0.08  -0.26     0.19  -0.06   0.09    -0.01  -0.00  -0.05
    20   1    -0.02  -0.45  -0.18     0.13   0.17   0.06     0.06  -0.09  -0.03
    21   1    -0.03  -0.12   0.17    -0.10   0.04  -0.07    -0.09  -0.07   0.03
    22   1    -0.09   0.09  -0.11    -0.03  -0.08   0.12    -0.06  -0.00   0.03
    23   1     0.18  -0.00  -0.14    -0.27  -0.02   0.15    -0.10  -0.01   0.03
    24   1    -0.15   0.08  -0.05     0.03  -0.07   0.09    -0.08   0.00   0.04
    25   1    -0.06   0.35   0.12     0.09  -0.17  -0.09     0.03   0.01  -0.01
    26   1    -0.00   0.20  -0.11     0.06   0.05   0.12     0.03   0.07   0.03
    27   1     0.05   0.01  -0.25     0.10  -0.04   0.06     0.06  -0.05  -0.08
    28   1     0.01  -0.04  -0.00    -0.10  -0.23   0.02    -0.07   0.07   0.08
    29   6     0.01  -0.05  -0.00    -0.09  -0.20  -0.04     0.01   0.05   0.01
    30   1    -0.09   0.02  -0.09     0.13   0.08  -0.34     0.69   0.12  -0.04
    31   1     0.02  -0.06   0.00    -0.05  -0.23  -0.03     0.12   0.15   0.02
    32   1     0.01  -0.09  -0.00    -0.10  -0.27  -0.06    -0.01  -0.04  -0.10
    33   1     0.05  -0.02   0.01    -0.04  -0.16   0.01     0.04   0.04  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.9020               619.7191               642.5741
 Red. masses --      2.7556                 1.7097                 3.0593
 Frc consts  --      0.5218                 0.3869                 0.7443
 IR Inten    --     35.9059                65.7143                27.2522
 RamAct Fr= 1--      0.2123                 1.1752                 3.3682
  Dep-P Fr= 1--      0.2288                 0.6923                 0.5804
  Dep-U Fr= 1--      0.3724                 0.8181                 0.7345
 Alpha2 Fr= 1--      0.0027                 0.0012                 0.0107
 Beta2  Fr= 1--      0.0132                 0.1602                 0.4123
 AlphaG Fr= 1--     -0.0087                 0.0081                -0.0131
 Gamma2 Fr= 1--      0.0143                -1.8509                -0.2701
 Delta2 Fr= 1--     -0.1222                -0.1990                -0.3338
 Raman1 Fr= 1--       0.849                  4.701                 13.473
 ROA1   Fr= 1--      -2.540               -184.057                -36.614
 CID1   Fr= 1--      -2.991                -39.155                 -2.718
 Raman2 Fr= 1--       0.158                  1.923                  4.948
 ROA2   Fr= 1--       1.320                -42.830                 -3.812
 CID2   Fr= 1--       8.347                -22.273                 -0.770
 Raman3 Fr= 1--       0.316                  3.846                  9.896
 ROA3   Fr= 1--      -2.540               -184.057                -36.614
 CID3   Fr= 1--      -8.032                -47.858                 -3.700
 RC180  Fr= 1--      -0.255                  0.636                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.02     0.02  -0.02   0.06    -0.09   0.02  -0.05
     2   6    -0.04   0.17   0.00    -0.07  -0.05   0.01    -0.03  -0.03  -0.06
     3   6     0.05   0.01   0.06     0.03   0.01   0.03    -0.08  -0.01   0.13
     4   6     0.10   0.19   0.03     0.06  -0.06  -0.02     0.02  -0.03   0.06
     5   6     0.03   0.01  -0.01    -0.01   0.02  -0.05     0.10  -0.02   0.08
     6   6     0.00  -0.06  -0.05    -0.02  -0.01  -0.02     0.08   0.01  -0.10
     7   6    -0.09   0.03   0.02    -0.07   0.03   0.01    -0.03   0.00  -0.01
     8   6     0.00  -0.04   0.02     0.01   0.00  -0.00     0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.04   0.00  -0.01     0.01   0.00  -0.00
    10   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.06  -0.08  -0.07     0.07  -0.04   0.04     0.01   0.06  -0.17
    12   6     0.02  -0.02   0.04    -0.05  -0.05   0.02     0.02   0.10  -0.02
    13   8     0.02   0.03   0.05    -0.02   0.08   0.02    -0.02  -0.15  -0.03
    14   8    -0.01   0.05  -0.04    -0.07  -0.03  -0.04    -0.04   0.07   0.14
    15   1     0.07  -0.42  -0.05     0.06   0.09   0.04     0.00   0.09  -0.10
    16   1    -0.00  -0.27   0.03    -0.02   0.13   0.01    -0.03   0.06   0.15
    17   1    -0.06  -0.28   0.01    -0.03   0.13  -0.02     0.03   0.03   0.14
    18   1     0.01  -0.41  -0.06     0.06   0.09   0.01     0.04   0.09  -0.11
    19   1    -0.18   0.01   0.00    -0.06   0.00   0.03    -0.01   0.01  -0.02
    20   1    -0.15  -0.03   0.01    -0.08   0.04   0.01    -0.03  -0.01  -0.02
    21   1     0.01  -0.04   0.02     0.05   0.03  -0.01     0.02   0.02  -0.01
    22   1     0.03   0.05  -0.03     0.04   0.02  -0.02     0.01   0.00  -0.01
    23   1     0.07   0.03  -0.03     0.07   0.01  -0.02     0.02   0.00  -0.01
    24   1    -0.08   0.06   0.00     0.00   0.02  -0.01     0.01   0.00  -0.01
    25   1    -0.01   0.03   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.01  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.00
    27   1    -0.01  -0.03  -0.05    -0.02   0.02   0.02    -0.00   0.01   0.01
    28   1     0.03  -0.17  -0.07     0.12  -0.03   0.05    -0.05   0.01  -0.17
    29   6    -0.08  -0.10  -0.04     0.03   0.03   0.01    -0.02  -0.03  -0.03
    30   1    -0.08  -0.04  -0.16     0.80   0.04  -0.39     0.67   0.28   0.11
    31   1    -0.23  -0.23  -0.06     0.03   0.11   0.01    -0.16  -0.28  -0.04
    32   1    -0.05   0.08   0.09     0.03   0.13  -0.01    -0.00  -0.06   0.13
    33   1    -0.19  -0.11   0.02    -0.07  -0.04  -0.06     0.08   0.09   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.5971               720.8298               753.8120
 Red. masses --      5.1059                 3.1133                 3.9107
 Frc consts  --      1.3327                 0.9531                 1.3093
 IR Inten    --      7.8626                34.5756                 6.8429
 RamAct Fr= 1--      4.8936                 3.1596                 5.1487
  Dep-P Fr= 1--      0.5307                 0.0332                 0.0678
  Dep-U Fr= 1--      0.6934                 0.0642                 0.1269
 Alpha2 Fr= 1--      0.0208                 0.0650                 0.0975
 Beta2  Fr= 1--      0.5655                 0.0338                 0.1089
 AlphaG Fr= 1--     -0.0601                 0.0564                -0.0631
 Gamma2 Fr= 1--      0.4426                 0.8537                 0.4398
 Delta2 Fr= 1--      0.0257                 0.2901                -0.0886
 Raman1 Fr= 1--      19.574                 12.639                 20.595
 ROA1   Fr= 1--      43.313                 91.236                 39.391
 CID1   Fr= 1--       2.213                  7.219                  1.913
 Raman2 Fr= 1--       6.786                  0.406                  1.307
 ROA2   Fr= 1--      10.417                 18.168                 11.265
 CID2   Fr= 1--       1.535                 44.770                  8.620
 Raman3 Fr= 1--      13.572                  0.812                  2.614
 ROA3   Fr= 1--      43.313                 91.236                 39.391
 CID3   Fr= 1--       3.191                112.413                 15.070
 RC180  Fr= 1--       0.387                 -0.872                 -0.746
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.23  -0.03   0.15    -0.07   0.07  -0.05    -0.02  -0.13  -0.08
     2   6    -0.01  -0.02   0.08     0.07  -0.03  -0.01     0.08   0.23   0.01
     3   6     0.21  -0.01  -0.13    -0.08  -0.01  -0.04     0.01   0.14  -0.06
     4   6     0.01  -0.01  -0.07    -0.04   0.08   0.01    -0.08  -0.23  -0.01
     5   6    -0.21   0.03  -0.12    -0.11  -0.02   0.05     0.01   0.14   0.06
     6   6    -0.20   0.01   0.16    -0.10   0.06   0.09    -0.01  -0.14   0.04
     7   6    -0.02   0.01   0.02     0.17  -0.09  -0.01     0.04   0.07   0.02
     8   6     0.00  -0.01   0.01    -0.01   0.03  -0.02     0.01  -0.04   0.04
     9   6     0.01  -0.00  -0.00    -0.03   0.00   0.00    -0.07   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.02   0.02     0.01  -0.05  -0.04
    11   6     0.00   0.05  -0.13     0.12  -0.02  -0.10    -0.01  -0.00   0.02
    12   6     0.02   0.11  -0.04     0.18  -0.04   0.00     0.16   0.02  -0.05
    13   8    -0.02  -0.13  -0.06    -0.03   0.02   0.10    -0.05  -0.00   0.02
    14   8    -0.01   0.08   0.13    -0.08  -0.03  -0.04    -0.05  -0.01   0.01
    15   1     0.20   0.02   0.18    -0.18  -0.08   0.01    -0.10  -0.33  -0.05
    16   1     0.13   0.04  -0.17    -0.10  -0.26  -0.05     0.10   0.37  -0.02
    17   1    -0.16   0.06  -0.15    -0.13  -0.25   0.03     0.09   0.34   0.03
    18   1    -0.11   0.03   0.20    -0.23  -0.07   0.02    -0.09  -0.35   0.00
    19   1     0.03  -0.06   0.10     0.23  -0.07  -0.00    -0.11   0.13  -0.08
    20   1    -0.06   0.10   0.08     0.19  -0.02   0.01     0.04  -0.07  -0.04
    21   1     0.01  -0.01   0.01    -0.08  -0.02  -0.01    -0.01  -0.07   0.04
    22   1     0.01   0.01  -0.01    -0.06  -0.06   0.04    -0.08   0.03  -0.00
    23   1     0.04   0.01  -0.01    -0.13  -0.04   0.04    -0.01   0.01  -0.01
    24   1    -0.02   0.01  -0.01     0.11  -0.07   0.01    -0.13   0.03   0.01
    25   1    -0.00   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.01
    26   1    -0.00  -0.00  -0.00     0.00   0.04   0.05     0.01  -0.04  -0.07
    27   1    -0.01  -0.00  -0.01     0.02   0.02   0.03     0.01  -0.07  -0.11
    28   1    -0.04  -0.00  -0.14     0.05  -0.03  -0.11    -0.04   0.11   0.01
    29   6    -0.04  -0.06  -0.05     0.03   0.02  -0.01     0.01   0.01   0.01
    30   1     0.31   0.25   0.26     0.35  -0.08  -0.36     0.23   0.02  -0.08
    31   1    -0.14  -0.28  -0.05    -0.15  -0.15  -0.03     0.10   0.07   0.02
    32   1    -0.02  -0.10   0.08     0.07   0.19   0.17    -0.01  -0.10  -0.05
    33   1     0.05   0.05   0.11    -0.03   0.04   0.09     0.09   0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.5679               824.2282               837.4028
 Red. masses --      2.2204                 3.8277                 2.7921
 Frc consts  --      0.8511                 1.5321                 1.1536
 IR Inten    --      7.8586                10.5217                 0.9445
 RamAct Fr= 1--     36.3159                 0.9592                 8.3623
  Dep-P Fr= 1--      0.0645                 0.0889                 0.1022
  Dep-U Fr= 1--      0.1211                 0.1633                 0.1855
 Alpha2 Fr= 1--      0.6930                 0.0173                 0.1456
 Beta2  Fr= 1--      0.7332                 0.0261                 0.2585
 AlphaG Fr= 1--     -0.1972                 0.0021                 0.0893
 Gamma2 Fr= 1--     -0.8117                 0.3938                -2.0623
 Delta2 Fr= 1--      0.1000                 0.0891                -2.4996
 Raman1 Fr= 1--     145.264                  3.837                 33.449
 ROA1   Fr= 1--     -74.725                 40.659               -277.965
 CID1   Fr= 1--      -0.514                 10.597                 -8.310
 Raman2 Fr= 1--       8.799                  0.313                  3.102
 ROA2   Fr= 1--     -20.280                  8.739                -29.497
 CID2   Fr= 1--      -2.305                 27.901                 -9.508
 Raman3 Fr= 1--      17.598                  0.626                  6.205
 ROA3   Fr= 1--     -74.725                 40.659               -277.965
 CID3   Fr= 1--      -4.246                 64.907                -44.799
 RC180  Fr= 1--      -0.758                 -0.673                 -0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.04   0.03  -0.03    -0.04   0.03   0.05
     2   6     0.02  -0.02  -0.01    -0.03  -0.12   0.00    -0.01  -0.06   0.00
     3   6     0.00  -0.06  -0.04     0.05  -0.02  -0.09    -0.04   0.02   0.07
     4   6    -0.01   0.09   0.01    -0.04   0.13   0.01     0.05   0.03   0.00
     5   6    -0.00  -0.06   0.05     0.08  -0.05   0.02    -0.05   0.01  -0.08
     6   6    -0.01  -0.03   0.05     0.08   0.02   0.03    -0.02   0.02  -0.07
     7   6     0.00   0.15   0.01    -0.16   0.07  -0.01     0.12   0.09   0.03
     8   6     0.03  -0.04   0.09    -0.01  -0.01   0.01     0.05   0.01   0.08
     9   6    -0.08  -0.00   0.04     0.03  -0.02   0.00    -0.10   0.02   0.04
    10   6     0.03  -0.10  -0.08     0.00  -0.01  -0.00     0.04  -0.10  -0.10
    11   6     0.01   0.03  -0.09    -0.13   0.04   0.10     0.06  -0.08   0.13
    12   6    -0.05  -0.04   0.06     0.31   0.02  -0.07     0.04   0.05  -0.08
    13   8     0.03   0.01   0.05    -0.07   0.00   0.07    -0.04  -0.00  -0.08
    14   8     0.01  -0.03  -0.04    -0.07  -0.04  -0.00    -0.01   0.06   0.05
    15   1     0.02   0.43   0.00     0.04   0.15  -0.02    -0.04  -0.03   0.04
    16   1     0.08   0.28   0.00     0.10  -0.21  -0.07    -0.15  -0.21   0.01
    17   1     0.04   0.18   0.05     0.18  -0.17  -0.07    -0.13  -0.10  -0.04
    18   1    -0.03   0.37   0.05     0.14   0.17   0.06     0.01   0.03  -0.06
    19   1    -0.01   0.25  -0.08    -0.12   0.03   0.03     0.16   0.27  -0.12
    20   1     0.02   0.01  -0.06    -0.17   0.10   0.01     0.21  -0.06  -0.08
    21   1     0.10  -0.00   0.07     0.10   0.07  -0.01     0.05  -0.01   0.06
    22   1    -0.15   0.07  -0.04     0.07   0.05  -0.05    -0.24   0.03   0.00
    23   1     0.12   0.03  -0.06     0.16   0.04  -0.05     0.01  -0.01  -0.03
    24   1    -0.26   0.08  -0.01    -0.12   0.06  -0.01    -0.13   0.01  -0.02
    25   1    -0.02   0.02  -0.01    -0.01   0.02   0.01    -0.03  -0.03  -0.04
    26   1     0.01  -0.13  -0.20    -0.00  -0.02  -0.02     0.01  -0.19  -0.22
    27   1    -0.01  -0.11  -0.18    -0.01  -0.01  -0.02    -0.02  -0.08  -0.11
    28   1    -0.02  -0.07  -0.09    -0.20   0.30   0.06     0.11   0.04   0.13
    29   6     0.02   0.03  -0.02    -0.08  -0.06  -0.01    -0.02  -0.09   0.01
    30   1    -0.06  -0.11  -0.13     0.16  -0.05  -0.14     0.07   0.17   0.20
    31   1    -0.11  -0.16  -0.03     0.16   0.12   0.02     0.06   0.22   0.01
    32   1     0.04   0.09   0.13    -0.13  -0.34  -0.22    -0.03   0.06  -0.13
    33   1     0.03   0.11   0.13     0.09  -0.04  -0.09    -0.22  -0.30  -0.25
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4038               859.0010               871.7889
 Red. masses --      1.2812                 3.2901                 1.8123
 Frc consts  --      0.5498                 1.4304                 0.8115
 IR Inten    --      0.3818                 4.0551                17.8802
 RamAct Fr= 1--      1.9051                12.4730                 6.4071
  Dep-P Fr= 1--      0.2816                 0.2136                 0.0913
  Dep-U Fr= 1--      0.4395                 0.3520                 0.1673
 Alpha2 Fr= 1--      0.0206                 0.1633                 0.1146
 Beta2  Fr= 1--      0.1395                 0.7318                 0.1787
 AlphaG Fr= 1--     -0.0429                -0.0992                -0.0895
 Gamma2 Fr= 1--      0.1430                 2.0347                 0.2442
 Delta2 Fr= 1--      0.0076                 0.3639                 0.7474
 Raman1 Fr= 1--       7.620                 49.892                 25.628
 ROA1   Fr= 1--      13.969                206.971                 47.364
 CID1   Fr= 1--       1.833                  4.148                  1.848
 Raman2 Fr= 1--       1.675                  8.782                  2.144
 ROA2   Fr= 1--       3.370                 45.921                 -0.117
 CID2   Fr= 1--       2.013                  5.229                 -0.055
 Raman3 Fr= 1--       3.349                 17.564                  4.288
 ROA3   Fr= 1--      13.969                206.971                 47.364
 CID3   Fr= 1--       4.171                 11.784                 11.045
 RC180  Fr= 1--      -0.121                 -0.296                 -0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.00    -0.06   0.01  -0.15    -0.02  -0.05  -0.01
     2   6    -0.00   0.01   0.00     0.02  -0.04  -0.01     0.02   0.12   0.01
     3   6    -0.01  -0.09   0.00     0.01   0.00  -0.16    -0.01  -0.05   0.00
     4   6     0.01   0.02   0.00    -0.03   0.01   0.00     0.02   0.10   0.01
     5   6    -0.00   0.06  -0.01     0.05   0.00   0.16    -0.02  -0.08  -0.02
     6   6     0.01   0.07  -0.01    -0.01   0.00   0.17    -0.02  -0.09  -0.02
     7   6     0.02  -0.01   0.02    -0.12   0.03  -0.02     0.04  -0.06   0.03
     8   6    -0.00   0.00  -0.01    -0.02  -0.02  -0.01    -0.02  -0.01  -0.04
     9   6     0.00   0.00  -0.01     0.04  -0.02  -0.01     0.03   0.00  -0.03
    10   6    -0.00   0.01   0.00    -0.01   0.02   0.03    -0.02   0.05   0.04
    11   6    -0.00   0.00   0.02     0.16  -0.12   0.05     0.03  -0.01   0.05
    12   6     0.02   0.00  -0.01    -0.07   0.03  -0.05     0.04   0.01  -0.03
    13   8    -0.01   0.00  -0.00    -0.01   0.00  -0.09    -0.02   0.00  -0.01
    14   8    -0.00   0.00   0.00     0.01   0.07   0.05    -0.01   0.01   0.02
    15   1     0.05   0.51   0.04    -0.16   0.11  -0.07     0.00   0.25   0.01
    16   1     0.04   0.55   0.04     0.11  -0.02  -0.11     0.02   0.29   0.02
    17   1    -0.06  -0.41  -0.04     0.16  -0.17   0.08     0.01   0.49   0.03
    18   1    -0.04  -0.45  -0.04    -0.13  -0.04   0.12     0.04   0.53   0.01
    19   1    -0.02   0.02  -0.02    -0.11  -0.06   0.06    -0.12  -0.04  -0.04
    20   1     0.03  -0.07  -0.01    -0.18   0.11   0.04     0.06  -0.17  -0.02
    21   1    -0.04  -0.03  -0.00     0.06   0.05  -0.02    -0.14  -0.10  -0.02
    22   1     0.02  -0.02   0.01     0.11   0.03  -0.04     0.11  -0.06   0.04
    23   1    -0.04  -0.01   0.02     0.12   0.03  -0.03    -0.15  -0.01   0.06
    24   1     0.05  -0.01   0.01    -0.08   0.05  -0.00     0.15  -0.04   0.04
    25   1     0.00  -0.02  -0.01     0.01   0.04   0.02     0.02  -0.03  -0.01
    26   1    -0.00   0.00   0.01    -0.00   0.06   0.05    -0.00   0.08   0.12
    27   1    -0.00   0.02   0.03     0.00   0.00  -0.01     0.02   0.04   0.09
    28   1    -0.01   0.01   0.02     0.23  -0.16   0.07     0.03   0.05   0.04
    29   6    -0.01  -0.01  -0.00     0.05  -0.05   0.02    -0.02  -0.06  -0.01
    30   1     0.01   0.01   0.01     0.03   0.17   0.20     0.03   0.04   0.04
    31   1     0.01   0.02  -0.00    -0.08   0.13  -0.02    -0.01   0.07  -0.01
    32   1    -0.01  -0.01  -0.03     0.09   0.36   0.07    -0.02   0.04  -0.05
    33   1    -0.02  -0.03  -0.03    -0.30  -0.28  -0.18    -0.13  -0.16  -0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7766               936.2515               954.2213
 Red. masses --      1.5184                 1.1970                 1.6965
 Frc consts  --      0.7211                 0.6182                 0.9101
 IR Inten    --      1.9933                 1.8886                 0.3227
 RamAct Fr= 1--      2.7931                 1.2478                 5.5588
  Dep-P Fr= 1--      0.7322                 0.4615                 0.7361
  Dep-U Fr= 1--      0.8454                 0.6315                 0.8480
 Alpha2 Fr= 1--      0.0008                 0.0073                 0.0013
 Beta2  Fr= 1--      0.3935                 0.1313                 0.7857
 AlphaG Fr= 1--      0.0052                 0.0327                -0.0026
 Gamma2 Fr= 1--     -0.9164                -0.1737                -2.5629
 Delta2 Fr= 1--     -0.0156                -0.6419                -0.2398
 Raman1 Fr= 1--      11.172                  4.991                 22.235
 ROA1   Fr= 1--     -88.473                -37.219               -253.707
 CID1   Fr= 1--      -7.919                 -7.457                -11.410
 Raman2 Fr= 1--       4.723                  1.576                  9.428
 ROA2   Fr= 1--     -21.868                  0.966                -59.590
 CID2   Fr= 1--      -4.631                  0.613                 -6.321
 Raman3 Fr= 1--       9.445                  3.152                 18.856
 ROA3   Fr= 1--     -88.473                -37.219               -253.707
 CID3   Fr= 1--      -9.367                -11.808                -13.455
 RC180  Fr= 1--       0.691                  0.263                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.04    -0.00   0.00   0.01     0.01   0.08   0.00
     2   6    -0.01  -0.05   0.01     0.01   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.09  -0.03
     4   6    -0.01  -0.02   0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
     5   6    -0.00   0.00   0.02    -0.00  -0.00  -0.01     0.02  -0.01   0.02
     6   6    -0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.01   0.02
     7   6    -0.04   0.01   0.16     0.02   0.01  -0.01    -0.06  -0.10  -0.01
     8   6    -0.01   0.05  -0.00    -0.04  -0.00   0.01     0.08   0.08   0.01
     9   6     0.03   0.01  -0.02     0.05  -0.00   0.07    -0.06   0.07   0.04
    10   6     0.01   0.02  -0.06    -0.08   0.02  -0.03     0.05  -0.01  -0.05
    11   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.05  -0.06    -0.00  -0.02   0.01    -0.05  -0.49  -0.04
    16   1     0.08  -0.15  -0.02    -0.01   0.05   0.01     0.07   0.52   0.01
    17   1    -0.02  -0.04   0.03    -0.01   0.01  -0.00     0.05   0.07   0.01
    18   1    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.01  -0.01   0.03
    19   1    -0.24   0.39  -0.24     0.05   0.02  -0.01    -0.02  -0.17   0.07
    20   1     0.07  -0.49  -0.11     0.02   0.03  -0.01    -0.17  -0.04   0.07
    21   1    -0.15  -0.25  -0.06     0.22  -0.18  -0.20     0.14   0.09  -0.02
    22   1     0.05  -0.03   0.02    -0.34   0.08  -0.08    -0.40  -0.01   0.04
    23   1    -0.09  -0.02   0.04     0.41  -0.10  -0.19    -0.03  -0.09  -0.04
    24   1     0.15  -0.03   0.03    -0.05  -0.02  -0.17     0.14  -0.08  -0.10
    25   1     0.00  -0.31  -0.18     0.21  -0.29  -0.27    -0.04  -0.09  -0.04
    26   1    -0.00  -0.16   0.04     0.04   0.25   0.42     0.00  -0.20  -0.15
    27   1    -0.03   0.12   0.30     0.18  -0.09   0.04    -0.06   0.09   0.12
    28   1    -0.02  -0.03  -0.02     0.00   0.00   0.00     0.02   0.02   0.01
    29   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    30   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.02  -0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    32   1     0.01   0.01   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02
    33   1     0.02   0.04   0.04    -0.00  -0.01  -0.01    -0.02  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.6486               972.1755               977.1112
 Red. masses --      1.5438                 1.4866                 1.3846
 Frc consts  --      0.8429                 0.8278                 0.7789
 IR Inten    --      0.1796                 0.0536                 0.1500
 RamAct Fr= 1--      1.7219                 2.5631                 0.3496
  Dep-P Fr= 1--      0.5709                 0.6691                 0.7474
  Dep-U Fr= 1--      0.7269                 0.8017                 0.8554
 Alpha2 Fr= 1--      0.0058                 0.0037                 0.0000
 Beta2  Fr= 1--      0.2086                 0.3425                 0.0498
 AlphaG Fr= 1--      0.0736                 0.0023                -0.0003
 Gamma2 Fr= 1--      0.2866                -0.1862                -0.7780
 Delta2 Fr= 1--      0.1167                -0.1547                 0.3712
 Raman1 Fr= 1--       6.888                 10.252                  1.398
 ROA1   Fr= 1--      31.247                -22.823                -62.809
 CID1   Fr= 1--       4.537                 -2.226                -44.916
 Raman2 Fr= 1--       2.503                  4.110                  0.598
 ROA2   Fr= 1--       5.945                 -3.230                -21.641
 CID2   Fr= 1--       2.375                 -0.786                -36.182
 Raman3 Fr= 1--       5.006                  8.220                  1.196
 ROA3   Fr= 1--      31.247                -22.823                -62.809
 CID3   Fr= 1--       6.241                 -2.777                -52.506
 RC180  Fr= 1--       0.454                  0.603                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01     0.00   0.01  -0.00    -0.00   0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.01  -0.01   0.00    -0.00  -0.03  -0.00
     3   6     0.01   0.09  -0.00     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     5   6     0.01  -0.03   0.01     0.01   0.02   0.01    -0.01  -0.12  -0.00
     6   6     0.00   0.02   0.01    -0.00  -0.02  -0.00     0.01   0.11   0.01
     7   6    -0.03  -0.09  -0.02    -0.01   0.02   0.02    -0.00   0.03   0.01
     8   6     0.06   0.06   0.01    -0.07   0.04   0.06    -0.03  -0.00   0.01
     9   6    -0.04   0.07   0.04     0.10   0.08  -0.03     0.03  -0.01  -0.01
    10   6     0.03  -0.01  -0.03    -0.04  -0.11  -0.03    -0.01  -0.02   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.06   0.60   0.04     0.00  -0.05  -0.01    -0.02  -0.08  -0.01
    16   1    -0.04  -0.49  -0.04     0.02   0.03  -0.00     0.01   0.06   0.00
    17   1     0.05   0.16   0.01    -0.00  -0.13  -0.00     0.06   0.70   0.06
    18   1     0.00  -0.11   0.01     0.01   0.10   0.01    -0.07  -0.64  -0.04
    19   1    -0.04  -0.19   0.08    -0.03   0.04  -0.01     0.03   0.07  -0.02
    20   1    -0.14  -0.03   0.06    -0.02  -0.01   0.01     0.03   0.02  -0.01
    21   1     0.10   0.07  -0.01    -0.24   0.14   0.18    -0.06   0.02   0.04
    22   1    -0.37  -0.02   0.04    -0.14  -0.13   0.10     0.07  -0.01   0.00
    23   1    -0.04  -0.10  -0.04    -0.15  -0.13   0.02     0.00   0.01   0.01
    24   1     0.18  -0.09  -0.10     0.55  -0.17  -0.07     0.03  -0.00   0.01
    25   1    -0.00  -0.05  -0.03     0.08   0.16   0.02     0.01   0.04   0.01
    26   1     0.00  -0.09  -0.07     0.02   0.21   0.01     0.00   0.04   0.00
    27   1    -0.02   0.03   0.05     0.13  -0.30  -0.45     0.02  -0.06  -0.09
    28   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.03   0.05   0.00
    29   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    32   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    33   1     0.01   0.01   0.00     0.01   0.01   0.01    -0.02  -0.04  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2452              1046.1702              1084.2273
 Red. masses --      1.9162                 2.8214                 2.1155
 Frc consts  --      1.1614                 1.8194                 1.4652
 IR Inten    --      2.1954                 4.2930                57.4409
 RamAct Fr= 1--     12.1547                 0.1274                 4.2169
  Dep-P Fr= 1--      0.2323                 0.7494                 0.5695
  Dep-U Fr= 1--      0.3771                 0.8567                 0.7257
 Alpha2 Fr= 1--      0.1513                 0.0000                 0.0144
 Beta2  Fr= 1--      0.7639                 0.0182                 0.5100
 AlphaG Fr= 1--      0.0128                -0.0001                 0.0252
 Gamma2 Fr= 1--      0.4097                -0.0726                -1.1734
 Delta2 Fr= 1--     -1.6112                 0.1562                 1.8821
 Raman1 Fr= 1--      48.619                  0.510                 16.868
 ROA1   Fr= 1--     -12.225                 -1.969                -52.417
 CID1   Fr= 1--      -0.251                 -3.864                 -3.108
 Raman2 Fr= 1--       9.166                  0.218                  6.120
 ROA2   Fr= 1--      22.722                 -2.991                -43.218
 CID2   Fr= 1--       2.479                -13.704                 -7.062
 Raman3 Fr= 1--      18.332                  0.437                 12.240
 ROA3   Fr= 1--     -12.225                 -1.969                -52.417
 CID3   Fr= 1--      -0.667                 -4.511                 -4.282
 RC180  Fr= 1--      -0.246                  0.713                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.04    -0.05   0.02  -0.20    -0.05   0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.01   0.04
     3   6     0.00   0.01   0.02    -0.01  -0.01   0.19     0.02   0.01  -0.05
     4   6     0.07  -0.03  -0.04     0.04  -0.00   0.01     0.05  -0.02   0.03
     5   6     0.00   0.02   0.04    -0.04   0.02  -0.20    -0.02   0.01  -0.00
     6   6    -0.04  -0.01   0.06    -0.01  -0.01   0.20     0.01   0.00  -0.02
     7   6     0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01   0.02
     8   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.04
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.02
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.02
    11   6     0.10   0.14  -0.06    -0.01  -0.01   0.02     0.09   0.08   0.16
    12   6    -0.07  -0.01   0.04     0.00  -0.00  -0.01    -0.01   0.09   0.02
    13   8     0.03  -0.00   0.03    -0.00   0.00  -0.01    -0.00   0.01  -0.00
    14   8     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.07  -0.07
    15   1    -0.00   0.02  -0.05     0.21   0.00  -0.38    -0.19   0.01   0.05
    16   1    -0.03  -0.06   0.01     0.29  -0.05   0.33     0.09  -0.03  -0.02
    17   1    -0.04  -0.14   0.05     0.21   0.00  -0.38    -0.17  -0.01   0.10
    18   1    -0.12   0.06   0.04     0.32  -0.06   0.35     0.06  -0.00   0.00
    19   1     0.04   0.03  -0.01    -0.04  -0.01   0.00    -0.18  -0.06   0.01
    20   1    -0.03  -0.02   0.01    -0.06  -0.02   0.01     0.20   0.03  -0.05
    21   1    -0.03  -0.04   0.00    -0.00   0.00   0.00     0.10   0.11  -0.04
    22   1     0.03  -0.01   0.00    -0.01  -0.00   0.00    -0.06   0.02  -0.02
    23   1    -0.02   0.00   0.01    -0.01  -0.00   0.00     0.06  -0.00  -0.02
    24   1     0.01   0.00   0.01     0.01  -0.00  -0.00    -0.05   0.01  -0.03
    25   1     0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.09   0.06
    26   1     0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.05  -0.01
    27   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.00  -0.04  -0.08
    28   1     0.45   0.46  -0.00    -0.10  -0.07   0.01     0.06  -0.29   0.18
    29   6    -0.12  -0.09   0.00     0.00   0.02  -0.01    -0.06  -0.02  -0.13
    30   1    -0.01  -0.05  -0.05     0.00   0.01   0.01     0.07   0.14   0.25
    31   1     0.22   0.18   0.04    -0.02  -0.07  -0.01    -0.16  -0.48  -0.11
    32   1    -0.18  -0.38  -0.35     0.00  -0.02   0.04    -0.04  -0.23   0.13
    33   1     0.07  -0.12  -0.20     0.03   0.06   0.06     0.12   0.22   0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.3588              1106.2202              1138.5163
 Red. masses --      1.5764                 1.8099                 2.1670
 Frc consts  --      1.1185                 1.3049                 1.6550
 IR Inten    --      3.5792                45.1030                 2.2663
 RamAct Fr= 1--      3.5997                 5.7348                18.0304
  Dep-P Fr= 1--      0.3463                 0.3066                 0.4716
  Dep-U Fr= 1--      0.5145                 0.4693                 0.6410
 Alpha2 Fr= 1--      0.0320                 0.0577                 0.1011
 Beta2  Fr= 1--      0.3087                 0.4486                 1.9262
 AlphaG Fr= 1--     -0.0293                 0.0427                -0.1704
 Gamma2 Fr= 1--     -0.7070                -1.7645                 1.2193
 Delta2 Fr= 1--      0.8127                -0.8417                 0.3201
 Raman1 Fr= 1--      14.399                 22.939                 72.122
 ROA1   Fr= 1--     -41.871               -196.329                127.296
 CID1   Fr= 1--      -2.908                 -8.559                  1.765
 Raman2 Fr= 1--       3.704                  5.383                 23.114
 ROA2   Fr= 1--     -23.471                -35.615                 26.702
 CID2   Fr= 1--      -6.336                 -6.616                  1.155
 Raman3 Fr= 1--       7.408                 10.766                 46.228
 ROA3   Fr= 1--     -41.871               -196.329                127.296
 CID3   Fr= 1--      -5.652                -18.235                  2.754
 RC180  Fr= 1--       0.029                 -0.061                  0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.03     0.03  -0.01   0.05     0.03   0.01   0.01
     2   6     0.01  -0.01   0.04     0.00   0.02  -0.05    -0.03  -0.05  -0.02
     3   6     0.02   0.01  -0.01    -0.03   0.01   0.02    -0.02   0.00   0.01
     4   6    -0.05  -0.04   0.04    -0.04  -0.03  -0.01    -0.02   0.00  -0.02
     5   6    -0.03   0.02  -0.04     0.03   0.01  -0.01     0.03  -0.00   0.01
     6   6     0.02   0.00  -0.05     0.01  -0.01   0.02    -0.02   0.01   0.02
     7   6    -0.01  -0.01   0.05    -0.01   0.01  -0.07     0.01   0.11   0.00
     8   6     0.01   0.01  -0.05    -0.03  -0.01   0.09     0.17  -0.15  -0.07
     9   6    -0.01  -0.00   0.02     0.02  -0.00  -0.03    -0.08   0.09  -0.03
    10   6    -0.00  -0.02   0.03     0.01   0.02  -0.05    -0.06   0.03   0.09
    11   6    -0.02   0.11  -0.03     0.01   0.11   0.07    -0.01   0.00   0.00
    12   6    -0.02  -0.00   0.02    -0.00   0.07   0.02     0.00   0.03   0.01
    13   8     0.02  -0.01   0.03     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00  -0.01  -0.00    -0.01  -0.06  -0.05    -0.00  -0.02  -0.02
    15   1    -0.04  -0.01  -0.00     0.07   0.01   0.02     0.19  -0.07  -0.10
    16   1     0.17  -0.07   0.06    -0.16  -0.02  -0.04    -0.14   0.01  -0.04
    17   1    -0.09  -0.04  -0.00     0.17  -0.03  -0.11     0.16  -0.01  -0.08
    18   1     0.13  -0.02  -0.00     0.01   0.00   0.03    -0.13  -0.03  -0.04
    19   1    -0.29  -0.07   0.01     0.41   0.09  -0.01    -0.22  -0.01   0.02
    20   1     0.26   0.02  -0.07    -0.38  -0.01   0.10    -0.09  -0.09  -0.03
    21   1     0.13   0.15  -0.05    -0.20  -0.18   0.09     0.19  -0.42  -0.19
    22   1    -0.08   0.03  -0.02     0.12  -0.04   0.03    -0.21  -0.11   0.12
    23   1     0.08  -0.01  -0.03    -0.09   0.01   0.04    -0.40  -0.09   0.07
    24   1    -0.06   0.01  -0.04     0.08  -0.01   0.05     0.22  -0.07   0.00
    25   1     0.00   0.13   0.08    -0.01  -0.19  -0.12     0.08   0.13   0.07
    26   1     0.00   0.06  -0.03    -0.00  -0.11   0.02     0.00   0.22   0.20
    27   1    -0.00  -0.05  -0.11    -0.00   0.08   0.16     0.10  -0.08  -0.06
    28   1    -0.21   0.37  -0.08    -0.10   0.06   0.05     0.04  -0.06   0.02
    29   6     0.07  -0.09  -0.00     0.05  -0.08  -0.06     0.01  -0.01   0.00
    30   1    -0.02  -0.06  -0.07     0.03   0.06   0.13     0.01   0.05   0.07
    31   1    -0.20   0.08  -0.06    -0.25  -0.14  -0.10    -0.01   0.01  -0.00
    32   1     0.11   0.37   0.07     0.09   0.25   0.16     0.01   0.03   0.01
    33   1    -0.32  -0.31  -0.15    -0.23  -0.16  -0.00    -0.03  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.2261              1161.6316              1193.8704
 Red. masses --      1.5705                 2.0662                 1.7718
 Frc consts  --      1.2200                 1.6427                 1.4879
 IR Inten    --     41.0964               149.3693                10.0603
 RamAct Fr= 1--      9.1342                 2.0274                 4.2377
  Dep-P Fr= 1--      0.1403                 0.6155                 0.4754
  Dep-U Fr= 1--      0.2460                 0.7620                 0.6445
 Alpha2 Fr= 1--      0.1447                 0.0050                 0.0234
 Beta2  Fr= 1--      0.3746                 0.2575                 0.4552
 AlphaG Fr= 1--      0.0024                -0.0233                -0.0320
 Gamma2 Fr= 1--      0.5571                -2.7330                 1.0775
 Delta2 Fr= 1--      0.6885                -0.9788                -0.6790
 Raman1 Fr= 1--      36.537                  8.109                 16.951
 ROA1   Fr= 1--      75.516               -293.690                 81.713
 CID1   Fr= 1--       2.067                -36.216                  4.821
 Raman2 Fr= 1--       4.495                  3.090                  5.462
 ROA2   Fr= 1--       7.863                -57.761                 31.293
 CID2   Fr= 1--       1.749                -18.695                  5.729
 Raman3 Fr= 1--       8.990                  6.179                 10.924
 ROA3   Fr= 1--      75.516               -293.690                 81.713
 CID3   Fr= 1--       8.400                -47.527                  7.480
 RC180  Fr= 1--      -0.508                  0.524                  0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.00    -0.03   0.00   0.01     0.00  -0.00   0.01
     2   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.01   0.00  -0.01
     3   6    -0.07   0.00   0.04     0.04  -0.01   0.01     0.00  -0.00   0.00
     4   6    -0.04   0.01  -0.03    -0.04   0.02  -0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.01   0.01    -0.05   0.00   0.00    -0.01   0.00   0.00
     6   6    -0.05   0.00   0.00     0.05  -0.00  -0.02     0.00  -0.00   0.00
     7   6    -0.01  -0.04   0.06    -0.00   0.01  -0.02    -0.01  -0.05   0.03
     8   6    -0.04   0.06  -0.04     0.00  -0.01   0.01     0.14   0.13   0.05
     9   6     0.02  -0.03   0.03     0.00   0.01  -0.01    -0.06  -0.07  -0.08
    10   6     0.01  -0.02   0.01     0.00   0.01  -0.01    -0.11  -0.04  -0.04
    11   6    -0.00  -0.02  -0.01    -0.03  -0.07  -0.11     0.00   0.00  -0.00
    12   6     0.01   0.08   0.02     0.01   0.16   0.05     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02     0.02  -0.02   0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.04  -0.06    -0.02  -0.08  -0.11    -0.00  -0.00  -0.00
    15   1     0.44  -0.02  -0.23    -0.18   0.01   0.11    -0.01   0.01   0.02
    16   1    -0.30   0.04  -0.06     0.35  -0.02   0.15    -0.02   0.00  -0.01
    17   1     0.31  -0.01  -0.17    -0.24   0.03   0.13    -0.01   0.00   0.01
    18   1    -0.38   0.05  -0.14     0.31  -0.03   0.10     0.03  -0.00   0.02
    19   1    -0.16  -0.01  -0.02     0.05  -0.00   0.01     0.04   0.00   0.00
    20   1     0.21  -0.02  -0.04    -0.04   0.02   0.01    -0.19  -0.19   0.06
    21   1     0.03   0.21  -0.00    -0.02  -0.03   0.01     0.29   0.31   0.05
    22   1     0.00   0.06  -0.06     0.00  -0.01   0.01     0.34  -0.00  -0.03
    23   1     0.18   0.02  -0.04    -0.03  -0.01   0.01    -0.21   0.20   0.13
    24   1    -0.12   0.03  -0.03     0.03  -0.01   0.00    -0.23   0.10   0.20
    25   1    -0.02   0.08   0.06    -0.00  -0.03  -0.02     0.23  -0.09  -0.21
    26   1     0.00  -0.01  -0.09    -0.00  -0.01   0.01    -0.00   0.26   0.24
    27   1    -0.03  -0.02  -0.08     0.00   0.01   0.03     0.21  -0.22  -0.16
    28   1     0.14  -0.16   0.03     0.21  -0.27  -0.05     0.01  -0.01   0.00
    29   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.00  -0.00   0.00
    30   1     0.04   0.13   0.20     0.07   0.25   0.40     0.00   0.01   0.01
    31   1     0.03   0.07   0.02     0.15   0.29   0.10    -0.00   0.00  -0.00
    32   1     0.00   0.02  -0.02    -0.02   0.03  -0.15     0.00   0.00   0.00
    33   1    -0.02  -0.04  -0.03    -0.01  -0.12  -0.15    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1212.1002              1222.8869              1236.8451
 Red. masses --      1.2524                 2.1670                 2.3708
 Frc consts  --      1.0841                 1.9093                 2.1368
 IR Inten    --      3.2496                 8.1453                 2.1454
 RamAct Fr= 1--     59.8020                49.9312                34.9566
  Dep-P Fr= 1--      0.1061                 0.1596                 0.1271
  Dep-U Fr= 1--      0.1919                 0.2752                 0.2255
 Alpha2 Fr= 1--      1.0314                 0.7533                 0.5725
 Beta2  Fr= 1--      1.9124                 2.2902                 1.3137
 AlphaG Fr= 1--     -0.5200                -0.1458                -0.1587
 Gamma2 Fr= 1--     -4.6552                -0.2023                -0.7438
 Delta2 Fr= 1--      1.3273                -0.4236                 0.3207
 Raman1 Fr= 1--     239.208                199.725                139.826
 ROA1   Fr= 1--    -404.430                -32.981                -61.142
 CID1   Fr= 1--      -1.691                 -0.165                 -0.437
 Raman2 Fr= 1--      22.949                 27.483                 15.764
 ROA2   Fr= 1--    -122.344                 -1.467                -20.417
 CID2   Fr= 1--      -5.331                 -0.053                 -1.295
 Raman3 Fr= 1--      45.898                 54.966                 31.528
 ROA3   Fr= 1--    -404.430                -32.981                -61.142
 CID3   Fr= 1--      -8.811                 -0.600                 -1.939
 RC180  Fr= 1--      -0.616                 -0.450                 -0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.05    -0.09   0.01  -0.03     0.05  -0.00  -0.01
     2   6     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.29  -0.04  -0.03
     3   6     0.02  -0.00   0.04     0.06  -0.01  -0.02    -0.07   0.00   0.06
     4   6    -0.09   0.01  -0.00     0.23  -0.02   0.00     0.05  -0.00   0.01
     5   6     0.01   0.00  -0.04     0.08  -0.01  -0.02    -0.08   0.01  -0.06
     6   6    -0.01   0.00  -0.04    -0.10   0.01   0.04     0.05  -0.00   0.01
     7   6    -0.02   0.00   0.00     0.02  -0.01  -0.00    -0.10   0.04   0.01
     8   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01  -0.03
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.02
    11   6     0.04   0.00   0.00    -0.10  -0.01  -0.02     0.01  -0.01  -0.00
    12   6    -0.00  -0.01  -0.00    -0.00   0.03   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00  -0.01     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.02  -0.03    -0.00  -0.00  -0.01
    15   1    -0.33   0.01   0.27    -0.41   0.03   0.18    -0.29   0.00   0.24
    16   1     0.50  -0.06   0.27    -0.00   0.00  -0.06    -0.39   0.04  -0.08
    17   1     0.38  -0.01  -0.29     0.21  -0.01  -0.10    -0.35   0.02   0.12
    18   1    -0.37   0.05  -0.21    -0.50   0.06  -0.13    -0.19   0.03  -0.11
    19   1    -0.03   0.00  -0.00     0.06   0.02  -0.02    -0.29  -0.05   0.03
    20   1    -0.06  -0.01   0.01     0.03   0.01   0.00    -0.46  -0.16   0.08
    21   1    -0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.07  -0.04  -0.03
    22   1    -0.01   0.00   0.00     0.01   0.00  -0.01    -0.05   0.02  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.05  -0.02  -0.02
    24   1     0.00   0.00  -0.00    -0.02   0.00   0.00    -0.01  -0.00  -0.04
    25   1     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.04   0.04
    26   1    -0.00   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.05
    27   1     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.02  -0.00  -0.03
    28   1     0.20  -0.01   0.04    -0.53   0.01  -0.11    -0.14   0.02  -0.04
    29   6    -0.01  -0.00  -0.02     0.02   0.00   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.03  -0.05     0.03   0.11   0.17     0.01   0.04   0.06
    31   1     0.01  -0.03  -0.01    -0.02   0.11   0.03     0.01   0.01   0.01
    32   1    -0.01  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.03
    33   1     0.03   0.03   0.02    -0.07  -0.08  -0.05     0.01  -0.01  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.5578              1280.2618              1309.1043
 Red. masses --      1.6163                 1.7494                 1.5903
 Frc consts  --      1.4822                 1.6894                 1.6058
 IR Inten    --      2.0550                 3.0947                 4.7538
 RamAct Fr= 1--      7.3052                 6.0452                 7.4547
  Dep-P Fr= 1--      0.5104                 0.4462                 0.4972
  Dep-U Fr= 1--      0.6758                 0.6171                 0.6641
 Alpha2 Fr= 1--      0.0343                 0.0376                 0.0373
 Beta2  Fr= 1--      0.8228                 0.6217                 0.8252
 AlphaG Fr= 1--      0.0353                -0.0164                -0.0637
 Gamma2 Fr= 1--      2.9109                 1.6012                -5.3260
 Delta2 Fr= 1--     -0.0839                 0.0053                 0.1490
 Raman1 Fr= 1--      29.221                 24.181                 29.819
 ROA1   Fr= 1--     276.758                153.886               -506.533
 CID1   Fr= 1--       9.471                  6.364                -16.987
 Raman2 Fr= 1--       9.874                  7.461                  9.902
 ROA2   Fr= 1--      70.532                 38.387               -129.017
 CID2   Fr= 1--       7.143                  5.145                -13.029
 Raman3 Fr= 1--      19.748                 14.921                 19.804
 ROA3   Fr= 1--     276.758                153.886               -506.533
 CID3   Fr= 1--      14.014                 10.313                -25.577
 RC180  Fr= 1--       0.352                  0.234                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00  -0.04    -0.04   0.00   0.01    -0.03   0.00   0.03
     2   6     0.04  -0.02   0.07     0.02  -0.01  -0.03    -0.00  -0.00  -0.03
     3   6    -0.03   0.00  -0.01     0.03  -0.00   0.05     0.03  -0.01   0.03
     4   6    -0.00  -0.00   0.04     0.07  -0.01  -0.12     0.01   0.01  -0.09
     5   6     0.01   0.00  -0.03    -0.01  -0.00   0.03    -0.02   0.00   0.03
     6   6    -0.02   0.01  -0.03     0.02  -0.00   0.04     0.03  -0.00   0.02
     7   6    -0.02   0.02  -0.05     0.00   0.01  -0.00     0.02   0.01  -0.00
     8   6     0.01  -0.06   0.14     0.00  -0.01   0.02     0.01   0.00  -0.00
     9   6     0.00   0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.01   0.01
    10   6    -0.01   0.05  -0.08    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    11   6     0.03  -0.01  -0.01    -0.14   0.06   0.02    -0.07  -0.06   0.02
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.00     0.01  -0.12  -0.03
    13   8     0.00  -0.00   0.01    -0.02  -0.01  -0.04     0.01   0.02   0.05
    14   8    -0.00   0.00  -0.01     0.01  -0.02   0.04    -0.02   0.04  -0.04
    15   1     0.05  -0.01  -0.06     0.04  -0.00  -0.04     0.08  -0.01  -0.05
    16   1    -0.01   0.00  -0.00     0.09  -0.02   0.08     0.10  -0.01   0.06
    17   1    -0.02   0.00  -0.01    -0.24   0.00   0.19    -0.11   0.00   0.09
    18   1    -0.15   0.01  -0.10    -0.22   0.02  -0.07    -0.11   0.01  -0.04
    19   1    -0.41  -0.32   0.13    -0.18  -0.10   0.04    -0.14  -0.09   0.03
    20   1     0.36   0.35  -0.07     0.08   0.04  -0.02     0.01  -0.02  -0.01
    21   1    -0.03   0.15   0.25    -0.04   0.06   0.07    -0.10   0.03   0.07
    22   1     0.07  -0.09   0.07     0.00  -0.01   0.01    -0.01   0.01  -0.01
    23   1    -0.14   0.01   0.04    -0.00   0.00   0.00     0.02   0.00  -0.00
    24   1     0.11  -0.00   0.09     0.00   0.00   0.01    -0.03   0.01  -0.00
    25   1     0.01  -0.27  -0.20     0.00  -0.05  -0.04     0.01  -0.02  -0.02
    26   1    -0.01  -0.13   0.14    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    27   1     0.07   0.07   0.20     0.01   0.01   0.03     0.01   0.00   0.01
    28   1    -0.08   0.03  -0.03     0.52  -0.34   0.18     0.28   0.54   0.05
    29   6    -0.01   0.00   0.01     0.05  -0.02  -0.01     0.03   0.02  -0.06
    30   1     0.01   0.03   0.04    -0.08  -0.28  -0.36     0.08   0.37   0.50
    31   1     0.03   0.01   0.01    -0.15   0.00  -0.04    -0.08  -0.11  -0.06
    32   1    -0.02  -0.04  -0.03     0.06   0.13   0.03     0.06   0.06   0.14
    33   1     0.03   0.01  -0.02    -0.14  -0.07   0.03    -0.02   0.09   0.13
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.0404              1349.7460              1363.6003
 Red. masses --      1.3480                 2.2011                 1.5733
 Frc consts  --      1.3818                 2.3626                 1.7236
 IR Inten    --      0.8518                 0.5430                 0.6094
 RamAct Fr= 1--     20.0926                 1.4684                18.1723
  Dep-P Fr= 1--      0.2886                 0.7363                 0.4211
  Dep-U Fr= 1--      0.4479                 0.8481                 0.5926
 Alpha2 Fr= 1--      0.2132                 0.0003                 0.1246
 Beta2  Fr= 1--      1.5001                 0.2076                 1.7948
 AlphaG Fr= 1--     -0.0449                 0.0191                -0.1605
 Gamma2 Fr= 1--      4.9953                -3.8645                 8.1136
 Delta2 Fr= 1--      0.4124                -0.9043                 4.7429
 Raman1 Fr= 1--      80.371                  5.874                 72.689
 ROA1   Fr= 1--     492.750               -399.933                930.681
 CID1   Fr= 1--       6.131                -68.091                 12.804
 Raman2 Fr= 1--      18.001                  2.491                 21.538
 ROA2   Fr= 1--     116.589                -85.514                156.783
 CID2   Fr= 1--       6.477                -34.333                  7.279
 Raman3 Fr= 1--      36.001                  4.981                 43.076
 ROA3   Fr= 1--     492.750               -399.933                930.681
 CID3   Fr= 1--      13.687                -80.284                 21.605
 RC180  Fr= 1--      -0.104                  0.696                  0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.06  -0.00  -0.06     0.08  -0.00  -0.05
     2   6     0.05   0.02   0.02     0.00  -0.01   0.19    -0.01  -0.00  -0.00
     3   6    -0.02  -0.00   0.01    -0.12   0.01  -0.06    -0.03   0.00  -0.01
     4   6     0.01   0.00  -0.01     0.02  -0.00   0.07     0.03  -0.01   0.11
     5   6    -0.00   0.00  -0.01     0.11  -0.01  -0.07     0.04  -0.00  -0.01
     6   6     0.01  -0.00   0.00    -0.08   0.01  -0.04    -0.10   0.01  -0.03
     7   6    -0.11  -0.06   0.03    -0.01  -0.00  -0.06     0.05   0.02   0.02
     8   6    -0.04  -0.04   0.03     0.04   0.08  -0.00    -0.04  -0.05  -0.01
     9   6    -0.01   0.04  -0.05    -0.00  -0.03   0.01     0.01   0.01  -0.00
    10   6     0.02  -0.01   0.01    -0.00  -0.03   0.02     0.01   0.02  -0.01
    11   6    -0.02  -0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01   0.02  -0.01     0.19  -0.00  -0.14    -0.33   0.01   0.23
    16   1     0.01   0.00   0.03     0.35  -0.04   0.15    -0.22   0.03  -0.09
    17   1    -0.12   0.01   0.07    -0.32   0.02   0.23     0.19  -0.00  -0.11
    18   1    -0.11   0.02  -0.05    -0.17   0.03  -0.08     0.33  -0.05   0.17
    19   1     0.42   0.33  -0.14     0.18  -0.00   0.01    -0.05  -0.02   0.02
    20   1     0.29   0.24  -0.03    -0.24   0.01   0.07    -0.14  -0.18   0.02
    21   1     0.57   0.00  -0.25    -0.24  -0.46  -0.09     0.20   0.31   0.02
    22   1     0.07  -0.08   0.07     0.01   0.06  -0.05    -0.01  -0.03   0.02
    23   1    -0.14  -0.02   0.01     0.04   0.06   0.02    -0.03  -0.05  -0.01
    24   1     0.17  -0.03   0.04    -0.07   0.01   0.01     0.02  -0.00  -0.02
    25   1    -0.05   0.05   0.06     0.04   0.07   0.03    -0.05  -0.05  -0.01
    26   1     0.01  -0.01   0.00    -0.00   0.05  -0.07    -0.00  -0.04   0.03
    27   1    -0.04   0.02   0.01     0.00  -0.05  -0.08    -0.02   0.03   0.01
    28   1     0.10   0.07   0.02     0.26   0.09   0.05     0.53   0.17   0.10
    29   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.02   0.00  -0.02
    30   1     0.01   0.04   0.06    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02    -0.06  -0.02  -0.04
    32   1     0.01   0.01   0.02     0.01   0.01   0.00     0.04   0.04   0.06
    33   1    -0.01   0.01   0.02    -0.02   0.01   0.02    -0.04   0.04   0.08
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.4887              1374.8686              1392.4356
 Red. masses --      1.4759                 1.3048                 1.9967
 Frc consts  --      1.6380                 1.4532                 2.2810
 IR Inten    --      0.4914                 4.3905                41.8845
 RamAct Fr= 1--      4.8394                21.0793                 7.0785
  Dep-P Fr= 1--      0.1892                 0.4876                 0.7473
  Dep-U Fr= 1--      0.3182                 0.6555                 0.8554
 Alpha2 Fr= 1--      0.0676                 0.1102                 0.0003
 Beta2  Fr= 1--      0.2567                 2.3031                 1.0092
 AlphaG Fr= 1--     -0.2431                -0.2060                 0.0090
 Gamma2 Fr= 1--     -3.2660                -6.6709                 2.1800
 Delta2 Fr= 1--     -0.5010                 1.4451                -2.3576
 Raman1 Fr= 1--      19.358                 84.317                 28.314
 ROA1   Fr= 1--    -329.570               -594.165                133.838
 CID1   Fr= 1--     -17.025                 -7.047                  4.727
 Raman2 Fr= 1--       3.080                 27.637                 12.110
 ROA2   Fr= 1--     -74.376               -171.663                 71.181
 CID2   Fr= 1--     -24.149                 -6.211                  5.878
 Raman3 Fr= 1--       6.160                 55.274                 24.220
 ROA3   Fr= 1--    -329.570               -594.165                133.838
 CID3   Fr= 1--     -53.504                -10.750                  5.526
 RC180  Fr= 1--      -0.364                  0.311                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.04   0.00   0.01
     2   6    -0.02  -0.01  -0.01    -0.01  -0.01   0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00  -0.00    -0.03   0.01  -0.02     0.02  -0.01  -0.00
     4   6    -0.00   0.00  -0.01    -0.01   0.00  -0.03    -0.00   0.02  -0.02
     5   6    -0.00   0.00   0.01     0.03  -0.00  -0.02    -0.01   0.00  -0.00
     6   6     0.01   0.00   0.00     0.01  -0.00   0.01     0.03  -0.00   0.01
     7   6     0.09   0.03  -0.03     0.06   0.03   0.01     0.00   0.00  -0.00
     8   6    -0.12   0.07   0.08    -0.05  -0.09  -0.04    -0.01  -0.00  -0.00
     9   6    -0.00  -0.01  -0.05     0.01   0.02   0.00    -0.00   0.00  -0.00
    10   6     0.04  -0.01   0.03     0.00   0.03  -0.02     0.00   0.00   0.00
    11   6     0.01   0.01   0.00     0.03   0.01   0.01     0.02  -0.17   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.04   0.20   0.06
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.03  -0.02
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.06   0.01
    15   1     0.05  -0.01  -0.03     0.20  -0.02  -0.13     0.09  -0.00  -0.07
    16   1     0.03  -0.01   0.01     0.26  -0.04   0.11     0.02   0.03  -0.00
    17   1     0.01  -0.00  -0.00    -0.20   0.01   0.14    -0.02   0.01   0.00
    18   1    -0.01  -0.01  -0.01    -0.19   0.01  -0.08    -0.12   0.01  -0.06
    19   1    -0.35  -0.28   0.11     0.11   0.03   0.03     0.00  -0.01   0.01
    20   1    -0.19  -0.15   0.03    -0.34  -0.34   0.04    -0.03  -0.03   0.00
    21   1     0.51  -0.31  -0.40     0.24   0.57   0.10     0.02   0.03  -0.00
    22   1     0.14  -0.04   0.01    -0.04  -0.03   0.03     0.01  -0.00   0.00
    23   1    -0.03   0.08   0.01    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00
    24   1     0.09  -0.00   0.11     0.00   0.00  -0.07     0.00  -0.00  -0.00
    25   1    -0.06  -0.09   0.04    -0.06  -0.06  -0.02    -0.00  -0.01  -0.00
    26   1    -0.01  -0.13  -0.18     0.00  -0.03   0.07    -0.00  -0.01  -0.00
    27   1    -0.07  -0.02  -0.19    -0.02   0.06   0.06     0.00  -0.00  -0.01
    28   1    -0.06  -0.03  -0.01    -0.19  -0.08  -0.03    -0.09   0.76  -0.04
    29   6    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.01   0.05  -0.03
    30   1     0.00   0.01   0.01     0.01   0.02   0.02    -0.06  -0.27  -0.35
    31   1     0.01   0.01   0.00     0.01  -0.00   0.01     0.03  -0.22  -0.02
    32   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.04     0.02  -0.13   0.14
    33   1     0.00  -0.00  -0.01     0.01  -0.02  -0.04    -0.06   0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4180              1415.8887              1422.9673
 Red. masses --      1.2576                 1.2215                 1.2351
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.8724                10.8553                 6.6039
 RamAct Fr= 1--      0.0991                 1.4394                 2.1033
  Dep-P Fr= 1--      0.6163                 0.4773                 0.3958
  Dep-U Fr= 1--      0.7626                 0.6462                 0.5671
 Alpha2 Fr= 1--      0.0002                 0.0079                 0.0158
 Beta2  Fr= 1--      0.0126                 0.1550                 0.1988
 AlphaG Fr= 1--     -0.0020                 0.0028                -0.0189
 Gamma2 Fr= 1--      0.0811                -0.0517                -0.0924
 Delta2 Fr= 1--     -0.0361                 0.1222                 0.1174
 Raman1 Fr= 1--       0.396                  5.758                  8.413
 ROA1   Fr= 1--       6.633                 -1.052                 -5.115
 CID1   Fr= 1--      16.735                 -0.183                 -0.608
 Raman2 Fr= 1--       0.151                  1.860                  2.386
 ROA2   Fr= 1--       2.236                 -2.217                 -3.157
 CID2   Fr= 1--      14.795                 -1.192                 -1.323
 Raman3 Fr= 1--       0.302                  3.721                  4.771
 ROA3   Fr= 1--       6.633                 -1.052                 -5.115
 CID3   Fr= 1--      21.945                 -0.283                 -1.072
 RC180  Fr= 1--       0.525                  0.292                  0.134
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.01   0.00   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
     8   6     0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.01
     9   6    -0.10   0.02   0.03     0.00   0.00   0.00    -0.09   0.01   0.01
    10   6    -0.02   0.07   0.07    -0.00   0.00   0.00     0.01  -0.07  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00  -0.00     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    16   1     0.01  -0.00   0.01    -0.02   0.00  -0.01     0.01  -0.00   0.00
    17   1    -0.01   0.00   0.01    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.04   0.01  -0.02     0.00  -0.00   0.00
    19   1     0.06   0.04  -0.01     0.02   0.00   0.00    -0.09  -0.03  -0.00
    20   1     0.01  -0.01  -0.01    -0.02  -0.01   0.00    -0.07  -0.01   0.03
    21   1    -0.06   0.06   0.06     0.00   0.01   0.00     0.02  -0.01  -0.01
    22   1     0.40   0.07   0.07     0.00   0.00   0.00     0.37   0.05   0.06
    23   1     0.37  -0.03  -0.24    -0.00  -0.00  -0.00     0.33   0.04  -0.20
    24   1     0.35  -0.23  -0.07    -0.00  -0.00  -0.00     0.32  -0.20   0.01
    25   1     0.14  -0.31  -0.17     0.00  -0.00  -0.00    -0.12   0.37   0.16
    26   1    -0.11  -0.24  -0.26    -0.00  -0.00  -0.00     0.12   0.26   0.29
    27   1     0.15  -0.13  -0.31     0.00  -0.00  -0.00    -0.12   0.13   0.38
    28   1    -0.00  -0.01  -0.00    -0.02   0.05  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.06  -0.11  -0.05    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.30   0.50  -0.01     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.04   0.47   0.25     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.34   0.28   0.39     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.0736              1485.4746              1490.3400
 Red. masses --      2.4874                 1.0756                 1.0459
 Frc consts  --      3.1243                 1.3985                 1.3687
 IR Inten    --      8.5231                 0.4986                 1.9538
 RamAct Fr= 1--      0.5787                 2.1616                11.2814
  Dep-P Fr= 1--      0.3756                 0.6016                 0.7208
  Dep-U Fr= 1--      0.5461                 0.7513                 0.8378
 Alpha2 Fr= 1--      0.0047                 0.0059                 0.0057
 Beta2  Fr= 1--      0.0527                 0.2707                 1.5752
 AlphaG Fr= 1--      0.0225                -0.0520                 0.0086
 Gamma2 Fr= 1--      2.7677                -1.6039                -2.6876
 Delta2 Fr= 1--     -1.6761                 0.3395                 0.9101
 Raman1 Fr= 1--       2.315                  8.646                 45.125
 ROA1   Fr= 1--     212.060               -143.108               -228.880
 CID1   Fr= 1--      91.603                -16.551                 -5.072
 Raman2 Fr= 1--       0.632                  3.248                 18.902
 ROA2   Fr= 1--      79.833                -41.209                -71.782
 CID2   Fr= 1--     126.306                -12.688                 -3.798
 Raman3 Fr= 1--       1.264                  6.496                 37.805
 ROA3   Fr= 1--     212.060               -143.108               -228.880
 CID3   Fr= 1--     167.753                -22.031                 -6.054
 RC180  Fr= 1--       0.092                  0.503                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.01   0.15     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.14  -0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.15     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.13  -0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04    -0.05   0.04  -0.00     0.02  -0.02   0.00
     8   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.00   0.01
     9   6    -0.00   0.00   0.01    -0.01  -0.03  -0.00     0.00  -0.02   0.03
    10   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01   0.03  -0.02
    11   6    -0.04   0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   8    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.23  -0.00  -0.30    -0.02   0.00   0.01     0.01   0.00  -0.01
    16   1    -0.32   0.05  -0.27    -0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.25   0.00  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.27   0.04  -0.24    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.19  -0.01   0.05     0.26  -0.21   0.30    -0.10   0.09  -0.12
    20   1    -0.21  -0.12   0.01     0.20  -0.32  -0.26    -0.08   0.13   0.11
    21   1     0.01   0.03   0.00    -0.03  -0.01   0.02     0.05  -0.01  -0.03
    22   1     0.04   0.02  -0.00    -0.14   0.18  -0.20     0.07   0.39  -0.32
    23   1    -0.02  -0.04  -0.01     0.05   0.37   0.14    -0.21   0.12   0.20
    24   1    -0.01  -0.01  -0.06     0.21  -0.10   0.11     0.10  -0.17  -0.37
    25   1     0.01  -0.01  -0.01    -0.31  -0.18   0.08    -0.16   0.16   0.11
    26   1     0.00   0.04  -0.02     0.06   0.04   0.23    -0.03  -0.37   0.23
    27   1    -0.03   0.02   0.01    -0.16   0.03  -0.23     0.33  -0.15   0.00
    28   1     0.35  -0.07   0.05    -0.01   0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.08  -0.00  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    32   1    -0.00  -0.03  -0.06     0.00  -0.00   0.01    -0.00   0.00  -0.01
    33   1    -0.04  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1956              1497.5520              1498.7994
 Red. masses --      1.0467                 1.0749                 1.0560
 Frc consts  --      1.3731                 1.4203                 1.3976
 IR Inten    --      4.6917                 4.4608                 6.8012
 RamAct Fr= 1--      5.8498                 4.6095                 5.4295
  Dep-P Fr= 1--      0.6014                 0.6625                 0.6512
  Dep-U Fr= 1--      0.7511                 0.7970                 0.7887
 Alpha2 Fr= 1--      0.0161                 0.0072                 0.0096
 Beta2  Fr= 1--      0.7323                 0.6123                 0.7137
 AlphaG Fr= 1--      0.0070                -0.0101                 0.0729
 Gamma2 Fr= 1--     -0.5899                -1.7853                 1.8260
 Delta2 Fr= 1--     -1.1846                 0.7404                 1.6419
 Raman1 Fr= 1--      23.399                 18.438                 21.718
 ROA1   Fr= 1--     -94.536               -147.701                227.832
 CID1   Fr= 1--      -4.040                 -8.011                 10.491
 Raman2 Fr= 1--       8.787                  7.347                  8.565
 ROA2   Fr= 1--      -4.680                -48.771                 30.688
 CID2   Fr= 1--      -0.533                 -6.638                  3.583
 Raman3 Fr= 1--      17.575                 14.694                 17.129
 ROA3   Fr= 1--     -94.536               -147.701                227.832
 CID3   Fr= 1--      -5.379                -10.052                 13.301
 RC180  Fr= 1--       0.502                  0.594                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.01
     3   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.01   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.02  -0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.01
    16   1     0.03  -0.00   0.01     0.00  -0.00   0.01    -0.01  -0.00  -0.01
    17   1     0.02   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    18   1     0.02  -0.00   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.01
    19   1     0.00  -0.00   0.00     0.21  -0.26   0.32    -0.04   0.06  -0.07
    20   1     0.00  -0.00  -0.00     0.20  -0.32  -0.26    -0.05   0.07   0.06
    21   1     0.00  -0.00  -0.00     0.04  -0.06  -0.04    -0.01   0.01   0.01
    22   1     0.00  -0.00   0.00     0.19   0.08  -0.02    -0.03  -0.01   0.00
    23   1    -0.00  -0.00  -0.00    -0.16  -0.23  -0.01     0.02   0.04   0.00
    24   1    -0.00   0.00  -0.00    -0.10  -0.03  -0.31     0.01   0.00   0.05
    25   1     0.00   0.00   0.00     0.30   0.23  -0.06    -0.06  -0.05   0.01
    26   1    -0.00  -0.00  -0.00    -0.05  -0.04  -0.21     0.01   0.01   0.04
    27   1     0.00  -0.00   0.00     0.17  -0.03   0.27    -0.04   0.01  -0.06
    28   1    -0.06  -0.03  -0.03    -0.01  -0.02  -0.00     0.02  -0.09  -0.01
    29   6     0.04  -0.00  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   1    -0.17   0.48  -0.07     0.13  -0.02   0.02     0.60  -0.08   0.10
    32   1    -0.00  -0.48   0.04     0.01  -0.03   0.13     0.06  -0.16   0.63
    33   1    -0.49   0.06   0.50    -0.06  -0.04  -0.04    -0.30  -0.17  -0.17
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.2162              1511.1605              1551.6654
 Red. masses --      1.0529                 1.0509                 2.4396
 Frc consts  --      1.4036                 1.4139                 3.4607
 IR Inten    --      4.4911                12.5518                25.7721
 RamAct Fr= 1--      7.9485                 1.3967                 0.2983
  Dep-P Fr= 1--      0.7440                 0.4842                 0.7107
  Dep-U Fr= 1--      0.8532                 0.6525                 0.8309
 Alpha2 Fr= 1--      0.0008                 0.0074                 0.0002
 Beta2  Fr= 1--      1.1303                 0.1519                 0.0413
 AlphaG Fr= 1--     -0.0084                 0.0047                -0.0027
 Gamma2 Fr= 1--      1.1177                 1.7346                 0.1824
 Delta2 Fr= 1--     -0.2108                 0.3839                 0.2639
 Raman1 Fr= 1--      31.794                  5.587                  1.193
 ROA1   Fr= 1--     100.551                178.809                 25.958
 CID1   Fr= 1--       3.163                 32.005                 21.757
 Raman2 Fr= 1--      13.564                  1.823                  0.496
 ROA2   Fr= 1--      28.510                 38.560                  2.267
 CID2   Fr= 1--       2.102                 21.156                  4.573
 Raman3 Fr= 1--      27.128                  3.645                  0.991
 ROA3   Fr= 1--     100.551                178.809                 25.958
 CID3   Fr= 1--       3.707                 49.052                 26.185
 RC180  Fr= 1--       0.706                  0.305                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08   0.00   0.10
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.10   0.02  -0.09
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.15  -0.01  -0.02
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.00   0.12
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.10   0.02  -0.10
     7   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03   0.00   0.00
     8   6    -0.03  -0.02  -0.02    -0.01  -0.04   0.02    -0.00  -0.01   0.00
     9   6     0.00  -0.02  -0.03    -0.00  -0.02   0.01     0.00   0.00  -0.00
    10   6    -0.03   0.01   0.00    -0.00  -0.02   0.03     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.38  -0.02  -0.20
    16   1    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.41  -0.05   0.13
    17   1     0.00   0.00  -0.01    -0.01   0.00   0.01     0.44  -0.02  -0.24
    18   1    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.45  -0.05   0.14
    19   1     0.03   0.01   0.01    -0.08   0.06  -0.09    -0.04   0.02  -0.01
    20   1    -0.03  -0.04  -0.01    -0.04   0.10   0.07    -0.05   0.02   0.02
    21   1     0.02   0.05  -0.01     0.05   0.06   0.04     0.01   0.00  -0.00
    22   1    -0.31  -0.07  -0.03    -0.04   0.31  -0.28    -0.01   0.01  -0.01
    23   1     0.21   0.41   0.06    -0.12   0.25   0.19    -0.00   0.01   0.01
    24   1     0.20   0.01   0.44     0.17  -0.15  -0.16     0.02  -0.01  -0.00
    25   1     0.28   0.29  -0.03     0.32  -0.12  -0.18     0.00  -0.01  -0.00
    26   1    -0.09  -0.23  -0.17     0.01   0.40  -0.37     0.00   0.02  -0.01
    27   1     0.33  -0.10   0.27    -0.31   0.17   0.13    -0.02   0.01   0.00
    28   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.04   0.01
    32   1     0.00  -0.00   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.01
    33   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.05  -0.00  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.4302              1658.3243              1805.7836
 Red. masses --      6.0491                 5.7940                 9.5413
 Frc consts  --      9.3353                 9.3879                18.3312
 IR Inten    --      0.2512                 1.2424               272.4996
 RamAct Fr= 1--      1.2246               185.8993                21.0073
  Dep-P Fr= 1--      0.7251                 0.4672                 0.2014
  Dep-U Fr= 1--      0.8407                 0.6369                 0.3353
 Alpha2 Fr= 1--      0.0005                 1.0617                 0.2842
 Beta2  Fr= 1--      0.1716                19.7318                 1.1739
 AlphaG Fr= 1--     -0.0258                -1.2441                -0.7261
 Gamma2 Fr= 1--     -0.0660               -12.5589                -3.9911
 Delta2 Fr= 1--      0.0543                -0.8544                 1.1484
 Raman1 Fr= 1--       4.898                743.597                 84.029
 ROA1   Fr= 1--      -4.596              -1232.993               -346.397
 CID1   Fr= 1--      -0.938                 -1.658                 -4.122
 Raman2 Fr= 1--       2.059                236.781                 14.086
 ROA2   Fr= 1--      -2.018               -294.577               -104.973
 CID2   Fr= 1--      -0.980                 -1.244                 -7.452
 Raman3 Fr= 1--       4.118                473.562                 28.173
 ROA3   Fr= 1--      -4.596              -1232.993               -346.397
 CID3   Fr= 1--      -1.116                 -2.604                -12.295
 RC180  Fr= 1--       0.681                  0.274                 -0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01  -0.22     0.27  -0.02  -0.11    -0.01   0.00   0.00
     2   6     0.01  -0.02   0.35    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.12  -0.03   0.21    -0.28   0.03  -0.06     0.01  -0.00   0.00
     4   6    -0.04   0.03  -0.35     0.19  -0.02  -0.01    -0.02   0.00  -0.00
     5   6    -0.07  -0.01   0.21    -0.28   0.02   0.10     0.01   0.00   0.00
     6   6    -0.11   0.02  -0.19     0.30  -0.03   0.05    -0.01   0.00  -0.01
     7   6     0.01   0.00  -0.04     0.03  -0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.01     0.01   0.01  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.00    -0.01   0.03  -0.05
    12   6     0.00   0.01  -0.01     0.00   0.01   0.02     0.23  -0.14   0.65
    13   8     0.00  -0.00   0.01    -0.00  -0.00  -0.01    -0.14   0.06  -0.42
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.06
    15   1    -0.32   0.03   0.05    -0.25   0.01   0.26     0.00   0.00  -0.01
    16   1    -0.33   0.03   0.01     0.28  -0.04   0.20    -0.02   0.01  -0.01
    17   1     0.28  -0.02  -0.02     0.28  -0.01  -0.29     0.02  -0.02  -0.01
    18   1     0.28  -0.02  -0.02    -0.31   0.04  -0.23     0.02  -0.00   0.01
    19   1     0.16   0.04  -0.02     0.03   0.01  -0.01     0.00   0.00   0.00
    20   1    -0.23  -0.02   0.07     0.01   0.00   0.01    -0.00  -0.00  -0.00
    21   1    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    22   1    -0.02  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02    -0.01   0.01   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.00   0.00
    28   1    -0.27   0.03  -0.03    -0.02   0.01  -0.00    -0.11   0.20  -0.06
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    30   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.07   0.27   0.37
    31   1    -0.02  -0.02  -0.00     0.02  -0.00   0.00     0.02  -0.05   0.02
    32   1    -0.00   0.01  -0.02    -0.00   0.03   0.01     0.02  -0.03   0.02
    33   1     0.02   0.00   0.00     0.02   0.00  -0.00    -0.06  -0.07  -0.08
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.9853              3018.4685              3020.1949
 Red. masses --      1.0811                 1.0503                 1.0404
 Frc consts  --      5.7477                 5.6383                 5.5912
 IR Inten    --      3.0440                 8.8326                41.0008
 RamAct Fr= 1--    149.2645                16.2790                30.0428
  Dep-P Fr= 1--      0.1975                 0.6840                 0.3143
  Dep-U Fr= 1--      0.3299                 0.8124                 0.4783
 Alpha2 Fr= 1--      2.0405                 0.0189                 0.2951
 Beta2  Fr= 1--      8.2058                 2.2041                 2.3950
 AlphaG Fr= 1--     -1.1365                -0.1117                 0.3160
 Gamma2 Fr= 1--    -10.8994                 7.4331                -0.2097
 Delta2 Fr= 1--     -6.1443                 1.9127                 3.5337
 Raman1 Fr= 1--     597.058                 65.116                120.171
 ROA1   Fr= 1--   -1242.961                774.780                 92.948
 CID1   Fr= 1--      -2.082                 11.898                  0.773
 Raman2 Fr= 1--      98.470                 26.449                 28.740
 ROA2   Fr= 1--    -212.432                163.092                -33.302
 CID2   Fr= 1--      -2.157                  6.166                 -1.159
 Raman3 Fr= 1--     196.940                 52.898                 57.479
 ROA3   Fr= 1--   -1242.961                774.780                 92.948
 CID3   Fr= 1--      -6.311                 14.647                  1.617
 RC180  Fr= 1--      -0.340                  0.625                 -0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01   0.01    -0.03   0.04  -0.00     0.01  -0.02   0.00
     8   6    -0.03   0.03  -0.06    -0.00   0.00  -0.01    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.01     0.03  -0.01   0.00     0.03  -0.01   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.03
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00  -0.00
    19   1    -0.00   0.01   0.02     0.12  -0.35  -0.42    -0.06   0.16   0.19
    20   1    -0.10   0.09  -0.21     0.21  -0.18   0.45    -0.10   0.09  -0.23
    21   1     0.39  -0.34   0.78     0.04  -0.04   0.08     0.00  -0.00   0.00
    22   1     0.00  -0.03  -0.03    -0.04   0.21   0.25    -0.03   0.19   0.22
    23   1    -0.06   0.05  -0.11    -0.19   0.16  -0.36    -0.17   0.14  -0.33
    24   1     0.01   0.03  -0.00    -0.12  -0.25   0.07    -0.12  -0.26   0.07
    25   1    -0.07   0.06  -0.16    -0.03   0.03  -0.06     0.22  -0.19   0.47
    26   1     0.00  -0.01   0.00     0.02  -0.01  -0.00    -0.29   0.05   0.03
    27   1     0.01   0.00  -0.00    -0.01  -0.02   0.01     0.16   0.31  -0.09
    28   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.7509              3047.3436              3056.3047
 Red. masses --      1.0439                 1.0356                 1.1034
 Frc consts  --      5.6349                 5.6659                 6.0725
 IR Inten    --     49.9365                25.4584                15.5849
 RamAct Fr= 1--    447.4093               252.2856                33.3089
  Dep-P Fr= 1--      0.0112                 0.0716                 0.7043
  Dep-U Fr= 1--      0.0221                 0.1337                 0.8265
 Alpha2 Fr= 1--      9.6864                 4.7321                 0.0265
 Beta2  Fr= 1--      1.6462                 5.6204                 4.5883
 AlphaG Fr= 1--      1.5611                -0.4939                 0.2669
 Gamma2 Fr= 1--      1.4294                 0.6242                 1.4192
 Delta2 Fr= 1--     -0.0226                 3.8465                -1.5984
 Raman1 Fr= 1--    1789.637               1009.142                133.236
 ROA1   Fr= 1--     136.496                183.006                 85.093
 CID1   Fr= 1--       0.076                  0.181                  0.639
 Raman2 Fr= 1--      19.754                 67.445                 55.060
 ROA2   Fr= 1--      34.485                -15.792                 46.848
 CID2   Fr= 1--       1.746                 -0.234                  0.851
 Raman3 Fr= 1--      39.509                134.890                110.120
 ROA3   Fr= 1--     136.496                183.006                 85.093
 CID3   Fr= 1--       3.455                  1.357                  0.773
 RC180  Fr= 1--      -0.956                 -0.733                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02   0.03   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.09
     8   6    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.02
    10   6    -0.01  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    19   1     0.08  -0.24  -0.28    -0.00   0.00   0.00    -0.15   0.43   0.49
    20   1     0.10  -0.10   0.23    -0.00   0.00  -0.00     0.28  -0.26   0.59
    21   1     0.08  -0.07   0.16    -0.00   0.00  -0.00     0.06  -0.05   0.12
    22   1     0.04  -0.20  -0.23    -0.00   0.00   0.00     0.01  -0.08  -0.09
    23   1     0.15  -0.12   0.28    -0.00   0.00  -0.00    -0.04   0.04  -0.08
    24   1     0.12   0.25  -0.07    -0.00  -0.00   0.00     0.02   0.04  -0.00
    25   1     0.20  -0.17   0.42    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    26   1    -0.28   0.05   0.04     0.00  -0.00  -0.00    -0.05   0.01   0.01
    27   1     0.15   0.30  -0.09    -0.00  -0.00   0.00     0.04   0.07  -0.02
    28   1     0.00  -0.00  -0.00    -0.01   0.00   0.04     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01    -0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.09   0.01   0.45     0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.66  -0.06  -0.10     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.19   0.48  -0.25     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.8342              3077.6546              3084.2027
 Red. masses --      1.0840                 1.0993                 1.0993
 Frc consts  --      6.0228                 6.1350                 6.1609
 IR Inten    --      6.7788                10.3502                56.1302
 RamAct Fr= 1--     68.8491                24.9439               124.4474
  Dep-P Fr= 1--      0.2058                 0.7409                 0.4521
  Dep-U Fr= 1--      0.3414                 0.8512                 0.6227
 Alpha2 Fr= 1--      0.9206                 0.0038                 0.7564
 Beta2  Fr= 1--      3.9177                 3.5387                12.9153
 AlphaG Fr= 1--     -0.0042                 0.0251                 1.5514
 Gamma2 Fr= 1--     -1.0699                11.6684                -6.9796
 Delta2 Fr= 1--     -3.7381                -4.1199                15.7387
 Raman1 Fr= 1--     275.396                 99.775                497.790
 ROA1   Fr= 1--    -222.333                988.328               -166.403
 CID1   Fr= 1--      -0.807                  9.906                 -0.334
 Raman2 Fr= 1--      47.012                 42.464                154.984
 ROA2   Fr= 1--       4.227                313.000               -293.420
 CID2   Fr= 1--       0.090                  7.371                 -1.893
 Raman3 Fr= 1--      94.024                 84.929                309.968
 ROA3   Fr= 1--    -222.333                988.328               -166.403
 CID3   Fr= 1--      -2.365                 11.637                 -0.537
 RC180  Fr= 1--      -0.317                  0.702                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     9   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.01   0.01   0.06
    10   6     0.00   0.00  -0.00     0.01  -0.05   0.03     0.01  -0.05   0.04
    11   6     0.02  -0.00  -0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.02     0.02  -0.06  -0.07
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.03    -0.04   0.05  -0.10
    21   1     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.08   0.07  -0.17
    22   1     0.00  -0.00  -0.00    -0.05   0.25   0.27     0.07  -0.32  -0.36
    23   1    -0.00   0.00  -0.00     0.25  -0.20   0.44    -0.20   0.17  -0.35
    24   1     0.00   0.00  -0.00    -0.16  -0.31   0.07     0.04   0.08  -0.01
    25   1     0.00  -0.00   0.00    -0.16   0.12  -0.33    -0.18   0.14  -0.37
    26   1    -0.00   0.00   0.00    -0.17   0.02   0.04    -0.16   0.02   0.03
    27   1     0.00   0.00  -0.00     0.22   0.43  -0.11     0.24   0.46  -0.12
    28   1    -0.20   0.05   0.96    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.00  -0.16     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   1     0.04  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0228              3103.5788              3111.0113
 Red. masses --      1.1014                 1.1003                 1.1023
 Frc consts  --      6.1959                 6.2442                 6.2857
 IR Inten    --     42.0010                32.9279                27.0381
 RamAct Fr= 1--    136.4939                56.6459               131.4108
  Dep-P Fr= 1--      0.6552                 0.7077                 0.6639
  Dep-U Fr= 1--      0.7917                 0.8289                 0.7980
 Alpha2 Fr= 1--      0.2316                 0.0415                 0.2016
 Beta2  Fr= 1--     18.0103                 7.8253                17.4772
 AlphaG Fr= 1--      0.0955                 0.1896                 0.1092
 Gamma2 Fr= 1--     -5.6672                11.6987                 0.6317
 Delta2 Fr= 1--    -11.1365                 1.7937                -4.7655
 Raman1 Fr= 1--     545.975                226.584                525.643
 ROA1   Fr= 1--    -900.421               1180.470                -91.854
 CID1   Fr= 1--      -1.649                  5.210                 -0.175
 Raman2 Fr= 1--     216.123                 93.904                209.726
 ROA2   Fr= 1--     -46.921                266.418                 53.284
 CID2   Fr= 1--      -0.217                  2.837                  0.254
 Raman3 Fr= 1--     432.247                187.808                419.452
 ROA3   Fr= 1--    -900.421               1180.470                -91.854
 CID3   Fr= 1--      -2.083                  6.286                 -0.219
 RC180  Fr= 1--       0.583                  0.658                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.02  -0.09  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.01  -0.01   0.01    -0.09  -0.01   0.01     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1    -0.00   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.02   0.02  -0.04     0.01  -0.01   0.03    -0.00  -0.00  -0.00
    22   1    -0.08   0.36   0.44    -0.00   0.02   0.02     0.00  -0.00  -0.00
    23   1    -0.06   0.03  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
    24   1     0.35   0.67  -0.19     0.02   0.03  -0.01    -0.00  -0.00   0.00
    25   1    -0.05   0.04  -0.11     0.05  -0.06   0.15    -0.00   0.00  -0.00
    26   1    -0.09   0.01   0.02     0.85  -0.15  -0.13    -0.01   0.00   0.00
    27   1     0.06   0.13  -0.03     0.18   0.39  -0.11    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.00
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.20
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.05  -0.10
    33   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.21  -0.57   0.30
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8835              3159.9802              3160.6451
 Red. masses --      1.1013                 1.0875                 1.0869
 Frc consts  --      6.3567                 6.3978                 6.3972
 IR Inten    --     12.8501                19.7361                 2.8607
 RamAct Fr= 1--     30.6231                12.1455               111.5930
  Dep-P Fr= 1--      0.6665                 0.1312                 0.6868
  Dep-U Fr= 1--      0.7999                 0.2319                 0.8143
 Alpha2 Fr= 1--      0.0455                 0.1969                 0.1239
 Beta2  Fr= 1--      4.0825                 0.4695                15.1453
 AlphaG Fr= 1--      0.0675                 0.0037                -0.1610
 Gamma2 Fr= 1--     -1.5079                -0.9322                 0.6523
 Delta2 Fr= 1--      2.3684                -1.0173                 2.9022
 Raman1 Fr= 1--     122.492                 48.582                446.372
 ROA1   Fr= 1--     -68.966               -122.042                155.492
 CID1   Fr= 1--      -0.563                 -2.512                  0.348
 Raman2 Fr= 1--      48.990                  5.634                181.744
 ROA2   Fr= 1--     -55.136                -14.233                 -7.563
 CID2   Fr= 1--      -1.125                 -2.526                 -0.042
 Raman3 Fr= 1--      97.980                 11.267                363.487
 ROA3   Fr= 1--     -68.966               -122.042                155.492
 CID3   Fr= 1--      -0.704                -10.831                  0.428
 RC180  Fr= 1--       0.600                 -0.536                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.02  -0.00   0.03    -0.03   0.01  -0.04
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.01   0.00  -0.03    -0.02  -0.00   0.04
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.02     0.01  -0.00   0.01
     6   6     0.00   0.00  -0.00     0.03   0.00  -0.06     0.02   0.00  -0.04
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.22   0.04  -0.33     0.33  -0.06   0.48
    16   1     0.01   0.00  -0.02    -0.18  -0.01   0.40     0.23   0.01  -0.50
    17   1    -0.02   0.00  -0.03    -0.17   0.03  -0.25    -0.12   0.02  -0.17
    18   1    -0.00  -0.00   0.01    -0.31  -0.01   0.67    -0.23  -0.01   0.50
    19   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   1    -0.03   0.01   0.15    -0.00   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.03  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.15   0.04   0.84     0.00  -0.00  -0.01     0.00  -0.00  -0.02
    32   1    -0.19   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.15  -0.38   0.18    -0.00   0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.1302              3183.9010              3723.5246
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5045                 6.5287                 8.6911
 IR Inten    --     17.6129                 2.6693                62.9282
 RamAct Fr= 1--    114.6982               125.9994               166.1478
  Dep-P Fr= 1--      0.1565                 0.1468                 0.2562
  Dep-U Fr= 1--      0.2707                 0.2560                 0.4079
 Alpha2 Fr= 1--      1.7440                 1.9638                 1.9349
 Beta2  Fr= 1--      5.1741                 5.3753                11.2965
 AlphaG Fr= 1--      0.1984                -0.3130                -0.3782
 Gamma2 Fr= 1--      2.1262                 1.2431                -7.3935
 Delta2 Fr= 1--      1.1686                -0.4834                -0.0674
 Raman1 Fr= 1--     458.793                503.998                664.591
 ROA1   Fr= 1--     241.506                103.870               -711.936
 CID1   Fr= 1--       0.526                  0.206                 -1.071
 Raman2 Fr= 1--      62.089                 64.503                135.558
 ROA2   Fr= 1--      41.679                 33.703               -176.906
 CID2   Fr= 1--       0.671                  0.522                 -1.305
 Raman3 Fr= 1--     124.179                129.007                271.116
 ROA3   Fr= 1--     241.506                103.870               -711.936
 CID3   Fr= 1--       1.945                  0.805                 -2.626
 RC180  Fr= 1--      -0.459                 -0.488                 -0.184
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.03   0.00  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.01    -0.05   0.01  -0.07     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.02   0.00  -0.03     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.03
    15   1     0.39  -0.07   0.57    -0.06   0.01  -0.09    -0.00   0.00  -0.00
    16   1    -0.29  -0.01   0.63     0.04   0.00  -0.09     0.00  -0.00  -0.00
    17   1     0.09  -0.02   0.13     0.51  -0.10   0.75     0.00  -0.00  -0.00
    18   1    -0.01  -0.00   0.01    -0.16  -0.01   0.33    -0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.01   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.26   0.83  -0.48
    31   1    -0.00   0.00   0.01    -0.00   0.00   0.03    -0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.553526919.063437175.91763
           X            0.99985   0.01701  -0.00326
           Y           -0.01688   0.99917   0.03720
           Z            0.00389  -0.03714   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06357     0.01252     0.01207
 Rotational constants (GHZ):           1.32453     0.26084     0.25150
 Zero-point vibrational energy     745966.3 (Joules/Mol)
                                  178.29022 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     36.55    51.65    67.17    76.62    91.91
          (Kelvin)            163.68   219.59   299.66   323.31   325.69
                              358.69   361.81   415.88   464.20   509.66
                              553.06   591.73   603.86   612.08   650.37
                              791.80   815.65   891.64   924.52   957.65
                             1037.11  1084.57  1160.47  1185.88  1204.84
                             1227.86  1235.91  1254.31  1291.70  1347.06
                             1372.91  1385.04  1398.74  1405.85  1459.27
                             1505.21  1559.96  1578.85  1591.60  1638.07
                             1652.04  1671.33  1717.71  1743.94  1759.46
                             1779.54  1794.96  1842.01  1883.51  1897.80
                             1941.98  1961.92  1974.71  1978.13  2003.40
                             2019.21  2037.15  2047.33  2100.72  2137.27
                             2144.27  2146.94  2154.64  2156.44  2164.23
                             2174.22  2232.50  2328.56  2385.96  2598.12
                             4322.06  4342.90  4345.39  4354.82  4384.45
                             4397.34  4418.25  4428.06  4437.48  4445.85
                             4465.36  4476.05  4503.20  4546.51  4547.46
                             4571.18  4580.92  5357.32
 
 Zero-point correction=                           0.284124 (Hartree/Particle)
 Thermal correction to Energy=                    0.299822
 Thermal correction to Enthalpy=                  0.300766
 Thermal correction to Gibbs Free Energy=         0.239372
 Sum of electronic and zero-point Energies=           -656.740271
 Sum of electronic and thermal Energies=              -656.724573
 Sum of electronic and thermal Enthalpies=            -656.723629
 Sum of electronic and thermal Free Energies=         -656.785023
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.141             58.748            129.213
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.581
 Vibrational            186.363             52.786             54.758
 Vibration     1          0.593              1.985              6.160
 Vibration     2          0.594              1.982              5.473
 Vibration     3          0.595              1.979              4.953
 Vibration     4          0.596              1.976              4.693
 Vibration     5          0.597              1.972              4.334
 Vibration     6          0.607              1.938              3.204
 Vibration     7          0.619              1.900              2.639
 Vibration     8          0.642              1.828              2.059
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.650              1.801              1.908
 Vibration    11          0.662              1.764              1.735
 Vibration    12          0.663              1.760              1.720
 Vibration    13          0.686              1.694              1.480
 Vibration    14          0.708              1.630              1.297
 Vibration    15          0.730              1.567              1.147
 Vibration    16          0.753              1.503              1.022
 Vibration    17          0.775              1.446              0.922
 Vibration    18          0.782              1.427              0.893
 Vibration    19          0.787              1.415              0.874
 Vibration    20          0.811              1.356              0.790
 Vibration    21          0.906              1.139              0.543
 Vibration    22          0.923              1.103              0.510
 Vibration    23          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.787862-110       -110.103550       -253.522793
 Total V=0       0.383789D+21         20.584093         47.396625
 Vib (Bot)       0.230037-124       -124.638203       -286.990067
 Vib (Bot)    1  0.815306D+01          0.911321          2.098394
 Vib (Bot)    2  0.576517D+01          0.760812          1.751835
 Vib (Bot)    3  0.442934D+01          0.646339          1.488250
 Vib (Bot)    4  0.388076D+01          0.588916          1.356030
 Vib (Bot)    5  0.323127D+01          0.509374          1.172877
 Vib (Bot)    6  0.179884D+01          0.254993          0.587144
 Vib (Bot)    7  0.132754D+01          0.123048          0.283328
 Vib (Bot)    8  0.954280D+00         -0.020324         -0.046798
 Vib (Bot)    9  0.878514D+00         -0.056251         -0.129523
 Vib (Bot)   10  0.871448D+00         -0.059759         -0.137599
 Vib (Bot)   11  0.783122D+00         -0.106171         -0.244467
 Vib (Bot)   12  0.775575D+00         -0.110376         -0.254150
 Vib (Bot)   13  0.661935D+00         -0.179185         -0.412588
 Vib (Bot)   14  0.581724D+00         -0.235283         -0.541759
 Vib (Bot)   15  0.519410D+00         -0.284490         -0.655062
 Vib (Bot)   16  0.468909D+00         -0.328911         -0.757346
 Vib (Bot)   17  0.429768D+00         -0.366766         -0.844510
 Vib (Bot)   18  0.418456D+00         -0.378350         -0.871183
 Vib (Bot)   19  0.411029D+00         -0.386128         -0.889092
 Vib (Bot)   20  0.378746D+00         -0.421652         -0.970889
 Vib (Bot)   21  0.285073D+00         -0.545044         -1.255011
 Vib (Bot)   22  0.272315D+00         -0.564929         -1.300797
 Vib (Bot)   23  0.236049D+00         -0.626999         -1.443718
 Vib (V=0)       0.112057D+07          6.049440         13.929351
 Vib (V=0)    1  0.866838D+01          0.937938          2.159682
 Vib (V=0)    2  0.628681D+01          0.798431          1.838454
 Vib (V=0)    3  0.495747D+01          0.695260          1.600895
 Vib (V=0)    4  0.441283D+01          0.644718          1.484517
 Vib (V=0)    5  0.376973D+01          0.576310          1.327004
 Vib (V=0)    6  0.236704D+01          0.374206          0.861640
 Vib (V=0)    7  0.191858D+01          0.282980          0.651585
 Vib (V=0)    8  0.157734D+01          0.197924          0.455737
 Vib (V=0)    9  0.151083D+01          0.179217          0.412662
 Vib (V=0)   10  0.150470D+01          0.177450          0.408593
 Vib (V=0)   11  0.142913D+01          0.155071          0.357065
 Vib (V=0)   12  0.142278D+01          0.153137          0.352610
 Vib (V=0)   13  0.132955D+01          0.123706          0.284843
 Vib (V=0)   14  0.126707D+01          0.102802          0.236711
 Vib (V=0)   15  0.122096D+01          0.086702          0.199639
 Vib (V=0)   16  0.118548D+01          0.073892          0.170144
 Vib (V=0)   17  0.115932D+01          0.064203          0.147832
 Vib (V=0)   18  0.115200D+01          0.061453          0.141501
 Vib (V=0)   19  0.114726D+01          0.059662          0.137376
 Vib (V=0)   20  0.112725D+01          0.052022          0.119785
 Vib (V=0)   21  0.107556D+01          0.031634          0.072839
 Vib (V=0)   22  0.106935D+01          0.029118          0.067048
 Vib (V=0)   23  0.105292D+01          0.022395          0.051566
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.294432D+07          6.468985         14.895388
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222211     
     2        87663109877542210                           051510999986210977651084321964309841776539755320526426552218528542205165432
     4        47100140481677084                           688214982050363252409908732428967464723468293747416307025014439196583443765
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX X X               X  XX                     
     X                X    X                              X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012700    0.000004108    0.000002110
      2        6           0.000003832   -0.000003949   -0.000007380
      3        6           0.000013699   -0.000002576    0.000000755
      4        6          -0.000020366   -0.000004231    0.000011014
      5        6          -0.000005743    0.000003624    0.000004170
      6        6           0.000006024   -0.000000305   -0.000001678
      7        6          -0.000024303    0.000024153   -0.000003980
      8        6           0.000004653   -0.000003215    0.000023074
      9        6          -0.000002592    0.000006428   -0.000003201
     10        6          -0.000001613   -0.000009465   -0.000016007
     11        6           0.000040442    0.000003018   -0.000008095
     12        6          -0.000008789    0.000014571   -0.000002467
     13        8           0.000003476   -0.000001409    0.000008463
     14        8           0.000001262   -0.000020050   -0.000011584
     15        1           0.000001000   -0.000002097   -0.000001753
     16        1          -0.000001688    0.000002540   -0.000001704
     17        1          -0.000001081    0.000001916   -0.000000008
     18        1          -0.000000212   -0.000002390    0.000002836
     19        1           0.000006289   -0.000006211    0.000000638
     20        1           0.000004256   -0.000012777    0.000001669
     21        1          -0.000001734    0.000001011   -0.000003171
     22        1          -0.000002522    0.000000341    0.000001864
     23        1           0.000003417   -0.000001134   -0.000001957
     24        1           0.000004705    0.000001067    0.000003888
     25        1           0.000000699    0.000001133   -0.000000059
     26        1          -0.000000260   -0.000002016    0.000000511
     27        1           0.000001306    0.000001178    0.000000453
     28        1          -0.000009673    0.000001666    0.000005288
     29        6           0.000008593   -0.000007335   -0.000006098
     30        1          -0.000001313    0.000004612   -0.000000603
     31        1          -0.000003081    0.000004579    0.000000327
     32        1          -0.000004225    0.000000154    0.000001640
     33        1          -0.000001758    0.000003064    0.000001044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040442 RMS     0.000008212
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.227811D+03 -0.108530D+01  0.493066D+00
      2  -0.108530D+01  0.138235D+03  0.513701D-01
      3   0.493066D+00  0.513701D-01  0.156697D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.768489D+01 -0.235361D+01  0.239149D+02
      2  -0.473579D+02  0.512613D+01  0.445803D+02
      3  -0.107590D+03 -0.320207D+02 -0.207776D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.249635D+03  0.384806D+02 -0.805601D+02
      2  -0.137566D+03 -0.532604D+01  0.354239D+02
      3  -0.112069D+03 -0.331546D+02  0.451362D+02
      4  -0.417657D+02  0.583677D+02  0.107246D+02
      5  -0.513449D+02  0.709146D+01  0.963340D+02
      6   0.705241D+01  0.127197D+02 -0.528639D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133086D+02  0.901449D+00  0.105382D+00  0.188821D+01  0.223849D+01
      2   0.901449D+00  0.173003D+01 -0.127288D+00  0.223849D+01 -0.181896D+01
      3   0.105382D+00 -0.127288D+00  0.380448D+01  0.866382D+00  0.351081D+01
                 6             7             8             9            10 
      1   0.866382D+00  0.161069D+02  0.661015D+00 -0.167194D+01  0.345365D+02
      2   0.351081D+01  0.661015D+00  0.162648D+01  0.388047D+00  0.107207D+01
      3  -0.405795D+00 -0.167194D+01  0.388047D+00  0.184338D+00 -0.160727D+01
                11            12            13            14            15 
      1   0.107207D+01 -0.160727D+01 -0.177706D+01  0.499237D+01  0.453671D+00
      2   0.162217D+01 -0.294546D+00  0.499237D+01 -0.990816D+00 -0.197208D+00
      3  -0.294546D+00  0.346951D+01  0.453671D+00 -0.197208D+00 -0.870428D+00
                16            17            18            19            20 
      1  -0.438867D+01  0.483307D+00  0.107418D+01  0.157610D+02 -0.779179D+00
      2   0.483307D+00 -0.506915D+00 -0.788168D+00 -0.779179D+00 -0.179408D+01
      3   0.107418D+01 -0.788168D+00  0.879546D+00 -0.281842D+00  0.113258D+01
                21            22            23            24            25 
      1  -0.281842D+00 -0.242035D+00 -0.234451D+01  0.600764D+00  0.140972D+02
      2   0.113258D+01 -0.234451D+01 -0.358983D+00  0.359067D+01 -0.115694D+01
      3  -0.308602D+01  0.600764D+00  0.359067D+01  0.510832D+00  0.153838D+01
                26            27            28            29            30 
      1  -0.115694D+01  0.153838D+01 -0.328895D+02  0.307499D-01  0.344435D+00
      2   0.247379D+01  0.140383D+00  0.307499D-01 -0.171721D+01 -0.653489D-02
      3   0.140383D+00  0.739536D+00  0.344435D+00 -0.653489D-02 -0.286216D+01
                31            32            33            34            35 
      1   0.266155D+01 -0.533757D+01 -0.469000D-01  0.155964D+01 -0.214017D+00
      2  -0.533757D+01  0.678617D+00 -0.951164D-01 -0.214017D+00 -0.821054D+00
      3  -0.469000D-01 -0.951164D-01  0.286772D+00 -0.723114D+00 -0.283981D+00
                36            37            38            39            40 
      1  -0.723114D+00  0.110144D+02 -0.430775D+00 -0.354026D+00  0.718752D+00
      2  -0.283981D+00 -0.430775D+00 -0.172883D+01 -0.854477D+00 -0.164022D+01
      3   0.101014D+01 -0.354026D+00 -0.854477D+00 -0.306613D+01 -0.465756D+00
                41            42            43            44            45 
      1  -0.164022D+01 -0.465756D+00 -0.159909D+02  0.735597D+00  0.444409D+00
      2   0.758220D+00 -0.304318D+01  0.735597D+00 -0.163997D+01 -0.147944D+00
      3  -0.304318D+01  0.439864D-01  0.444409D+00 -0.147944D+00 -0.108983D+01
                46            47            48            49            50 
      1  -0.124861D+02  0.242396D+00  0.416935D+00  0.207672D+01  0.142223D+01
      2   0.242396D+00  0.148451D+01  0.139981D+00  0.142223D+01 -0.500697D+00
      3   0.416935D+00  0.139981D+00  0.178473D+01 -0.764290D+00 -0.347766D+01
                51            52            53            54            55 
      1  -0.764290D+00 -0.126908D+02 -0.345434D+00 -0.646329D+00 -0.176731D+02
      2  -0.347766D+01 -0.345434D+00 -0.189211D+01  0.361378D-01 -0.209142D+01
      3  -0.812090D+00 -0.646329D+00  0.361378D-01 -0.929716D+00  0.620647D+00
                56            57            58            59            60 
      1  -0.209142D+01  0.620647D+00 -0.944520D+01 -0.760942D+01  0.516406D+00
      2  -0.311730D+01  0.331903D+00 -0.760942D+01  0.189438D+00  0.162881D+01
      3   0.331903D+00 -0.206486D+01  0.516406D+00  0.162881D+01  0.307124D+01
                61            62            63            64            65 
      1   0.584727D+01  0.593847D+00 -0.421523D+01  0.148111D+00  0.263060D+01
      2   0.593847D+00  0.234678D+01  0.428588D+01  0.263060D+01  0.385346D+01
      3  -0.421523D+01  0.428588D+01 -0.104376D+01  0.298852D+01 -0.936291D+00
                66            67            68            69            70 
      1   0.298852D+01  0.145067D+02  0.735354D+01 -0.215121D+01  0.344588D+00
      2  -0.936291D+00  0.735354D+01  0.111634D+01 -0.210538D+01 -0.128073D+01
      3   0.262124D+01 -0.215121D+01 -0.210538D+01 -0.372530D+01  0.411269D+01
                71            72            73            74            75 
      1  -0.128073D+01  0.411269D+01  0.526930D+01 -0.154691D+01 -0.253581D+01
      2  -0.268731D+01 -0.419096D+01 -0.154691D+01 -0.341813D+01  0.120328D+01
      3  -0.419096D+01  0.326831D+01 -0.253581D+01  0.120328D+01 -0.227595D+01
                76            77            78            79            80 
      1  -0.460049D+01 -0.615225D+01  0.163376D+01 -0.236705D+01  0.131087D+01
      2  -0.615225D+01 -0.219153D+01  0.331421D+01  0.131087D+01  0.293425D+01
      3   0.163376D+01  0.331421D+01  0.369756D+01 -0.413342D+01  0.396870D+01
                81            82            83            84            85 
      1  -0.413342D+01  0.578135D+01 -0.277153D+01 -0.210620D+01 -0.421722D+01
      2   0.396870D+01 -0.277153D+01 -0.337703D+01  0.887625D+00 -0.440397D+01
      3  -0.165884D-01 -0.210620D+01  0.887625D+00 -0.209417D+01  0.144751D+01
                86            87            88            89            90 
      1  -0.440397D+01  0.144751D+01 -0.138693D+01  0.122366D+01 -0.279440D+01
      2  -0.410833D+01  0.209981D+01  0.122366D+01  0.361259D+01  0.279955D+01
      3   0.209981D+01  0.321737D+01 -0.279440D+01  0.279955D+01 -0.322325D+01
                91            92            93            94            95 
      1   0.679199D+01  0.235233D+01 -0.203113D+00 -0.222134D+00  0.764219D+01
      2   0.235233D+01  0.303332D+01  0.857772D+00  0.764219D+01 -0.302009D+01
      3  -0.203113D+00  0.857772D+00  0.100585D+01  0.504309D+00  0.160909D+01
                96            97            98            99           100 
      1   0.504309D+00  0.447640D+01  0.560449D+00  0.155071D+01  0.283287D+01
      2   0.160909D+01  0.560449D+00  0.398877D+01 -0.319391D+00 -0.136355D+01
      3  -0.235654D+00  0.155071D+01 -0.319391D+00 -0.500250D+01  0.219577D+01
               101           102           103           104           105 
      1  -0.136355D+01  0.219577D+01 -0.106978D+01 -0.220247D+01 -0.321892D+00
      2  -0.421668D+00 -0.758491D+00 -0.220247D+01  0.457708D+01 -0.225547D+01
      3  -0.758491D+00  0.870900D+00 -0.321892D+00 -0.225547D+01 -0.780999D-01
               106           107           108           109           110 
      1   0.430940D+01 -0.219771D+01  0.253735D+01 -0.526164D+01  0.112998D+01
      2  -0.219771D+01 -0.399206D+00 -0.186066D+01  0.112998D+01 -0.950527D+00
      3   0.253735D+01 -0.186066D+01  0.463751D+01 -0.405109D+01  0.540439D+00
               111           112           113           114           115 
      1  -0.405109D+01  0.101446D+01 -0.123136D+01  0.702300D+00 -0.105970D+02
      2   0.540439D+00 -0.123136D+01  0.408008D-01 -0.159904D+01  0.312234D+01
      3  -0.213992D+01  0.702300D+00 -0.159904D+01  0.840775D+00 -0.475413D+01
               116           117           118           119           120 
      1   0.312234D+01 -0.475413D+01  0.759264D+00  0.428796D+00  0.125354D+01
      2  -0.388281D+01  0.181474D+01  0.428796D+00  0.229545D+01 -0.201304D+00
      3   0.181474D+01 -0.930714D+01  0.125354D+01 -0.201304D+00  0.116835D+00
               121           122           123           124           125 
      1   0.193802D+01  0.176217D+01 -0.610551D+00  0.411905D+01 -0.234772D+01
      2   0.176217D+01 -0.494642D+01  0.315191D+01 -0.234772D+01  0.590741D+01
      3  -0.610551D+00  0.315191D+01  0.182033D+00 -0.531473D+00  0.204297D+01
               126           127           128           129           130 
      1  -0.531473D+00  0.334755D+01 -0.414228D+00  0.277998D+01 -0.137037D+01
      2   0.204297D+01 -0.414228D+00  0.373258D+00 -0.545238D+00  0.232834D+00
      3   0.309230D+01  0.277998D+01 -0.545238D+00  0.287001D+01 -0.579650D+00
               131           132           133           134           135 
      1   0.232834D+00 -0.579650D+00  0.296834D+01 -0.514849D+00  0.350448D+01
      2  -0.193849D+00  0.187921D+00 -0.514849D+00  0.841140D+00 -0.105624D+01
      3   0.187921D+00 -0.666072D+00  0.350448D+01 -0.105624D+01  0.671738D+01
               136           137           138           139           140 
      1  -0.219847D+01 -0.969576D-01  0.234642D+01  0.158804D+00  0.681791D-01
      2  -0.969576D-01 -0.109950D+00  0.743879D-01  0.681791D-01 -0.433344D-01
      3   0.234642D+01  0.743879D-01 -0.260261D+01 -0.102875D+00  0.810446D-01
               141           142           143           144           145 
      1  -0.102875D+00  0.218322D+01  0.277149D+00 -0.319834D+01 -0.347429D+01
      2   0.810446D-01  0.277149D+00  0.738402D+00 -0.570706D+00  0.450297D+00
      3  -0.276942D+00 -0.319834D+01 -0.570706D+00  0.864373D+01 -0.207697D+01
               146           147           148           149           150 
      1   0.450297D+00 -0.207697D+01  0.796529D+00 -0.147172D+00  0.482298D+00
      2  -0.401747D+00  0.221963D+00 -0.147172D+00  0.161180D+00 -0.145909D+00
      3   0.221963D+00 -0.199356D+01  0.482298D+00 -0.145909D+00  0.521789D+00
               151           152           153           154           155 
      1  -0.264057D+01  0.256511D+00 -0.297472D+01  0.226683D+01  0.495455D-01
      2   0.256511D+00 -0.741621D+00  0.416114D+00  0.495455D-01  0.131689D+00
      3  -0.297472D+01  0.416114D+00 -0.559497D+01 -0.218802D+01  0.171819D+00
               156           157           158           159           160 
      1  -0.218802D+01 -0.296983D+00 -0.397528D-01  0.141649D+00 -0.248582D+01
      2   0.171819D+00 -0.397528D-01 -0.655184D-01 -0.102720D+00 -0.882404D-01
      3   0.229699D+01  0.141649D+00 -0.102720D+00  0.142030D+00  0.316504D+01
               161           162           163           164           165 
      1  -0.882404D-01  0.316504D+01  0.286542D+01 -0.116087D+01 -0.141967D+01
      2  -0.688815D+00 -0.170042D+00 -0.116087D+01  0.145108D+01  0.579544D+00
      3  -0.170042D+00 -0.796543D+01 -0.141967D+01  0.579544D+00  0.708226D+00
               166           167           168           169           170 
      1  -0.154211D+01  0.263012D+01  0.105457D+01 -0.685937D+01  0.109652D+01
      2   0.263012D+01 -0.425682D+01 -0.239151D+01  0.109652D+01 -0.336684D+01
      3   0.105457D+01 -0.239151D+01 -0.189332D+01  0.258245D+01 -0.274027D+01
               171           172           173           174           175 
      1   0.258245D+01  0.257748D+01 -0.920058D+00  0.167024D+01  0.432381D-02
      2  -0.274027D+01 -0.920058D+00  0.147005D+01 -0.732150D+00  0.166035D+01
      3  -0.303767D+01  0.167024D+01 -0.732150D+00  0.127273D+01 -0.594753D+00
               176           177           178           179           180 
      1   0.166035D+01 -0.594753D+00  0.469348D+01 -0.898372D+00  0.202091D+01
      2  -0.189617D+01  0.109976D+01 -0.898372D+00  0.205349D+01 -0.216725D+01
      3   0.109976D+01 -0.113349D+01  0.202091D+01 -0.216725D+01  0.350671D+01
               181           182           183           184           185 
      1  -0.187998D+01 -0.183375D+00 -0.164385D+01 -0.672615D+00 -0.952032D+00
      2  -0.183375D+00 -0.122139D+01  0.471311D+00 -0.952032D+00  0.139750D+01
      3  -0.164385D+01  0.471311D+00 -0.146942D+01  0.377264D+00 -0.108216D+01
               186           187           188           189           190 
      1   0.377264D+00 -0.286589D+01  0.235485D+00 -0.111791D+01  0.873001D+00
      2  -0.108216D+01  0.235485D+00 -0.141724D+01  0.188021D+01 -0.905509D+00
      3   0.209954D+01 -0.111791D+01  0.188021D+01 -0.537408D+01 -0.956489D+00
               191           192           193           194           195 
      1  -0.905509D+00 -0.956489D+00 -0.244032D+01  0.200917D+01  0.139608D+01
      2   0.753848D+00  0.402929D+00  0.200917D+01 -0.294454D+01 -0.259227D+01
      3   0.402929D+00  0.103781D+01  0.139608D+01 -0.259227D+01 -0.302061D+01
               196           197           198           199           200 
      1  -0.267025D+01  0.102224D+01  0.277018D+01  0.356917D+01 -0.804965D+00
      2   0.102224D+01 -0.265726D+01 -0.272328D+01 -0.804965D+00  0.108454D+01
      3   0.277018D+01 -0.272328D+01 -0.485559D+01  0.181406D+01 -0.611380D+00
               201           202           203           204           205 
      1   0.181406D+01 -0.175109D+01  0.178033D+01 -0.818660D+00  0.494346D+01
      2  -0.611380D+00  0.178033D+01 -0.111018D+01  0.646575D+00 -0.108996D+01
      3   0.168277D+01 -0.818660D+00  0.646575D+00 -0.145365D+01  0.276721D+01
               206           207           208           209           210 
      1  -0.108996D+01  0.276721D+01  0.427416D+01  0.274643D+01 -0.966022D+00
      2   0.126717D+01 -0.141369D+01  0.274643D+01  0.236521D+01 -0.797563D+00
      3  -0.141369D+01  0.365961D+01 -0.966022D+00 -0.797563D+00  0.898735D+00
               211           212           213           214           215 
      1   0.672294D+01  0.463537D+01 -0.178786D+01 -0.138279D+01 -0.105917D+01
      2   0.463537D+01  0.551675D+01 -0.167445D+01 -0.105917D+01 -0.138985D+01
      3  -0.178786D+01 -0.167445D+01  0.124030D+01  0.181390D+01  0.764886D+00
               216           217           218           219           220 
      1   0.181390D+01  0.134300D+01  0.210202D+00  0.181549D+01 -0.627210D+00
      2   0.764886D+00  0.210202D+00  0.102380D+01 -0.212197D-01  0.621705D+00
      3  -0.114766D+01  0.181549D+01 -0.212197D-01  0.231880D+01 -0.658089D+00
               221           222           223           224           225 
      1   0.621705D+00 -0.658089D+00  0.230149D+01  0.421004D-01  0.226206D+01
      2  -0.250185D+00  0.604353D+00  0.421004D-01  0.112814D+01 -0.140688D+00
      3   0.604353D+00 -0.184423D+01  0.226206D+01 -0.140688D+00  0.629203D+01
               226           227           228           229           230 
      1  -0.862904D+01  0.613839D+00  0.115273D+01  0.212537D+00 -0.116426D+01
      2   0.613839D+00 -0.206988D+01 -0.854426D+00 -0.116426D+01  0.123395D+01
      3   0.115273D+01 -0.854426D+00 -0.104105D+01 -0.522143D+00  0.656912D-01
               231           232           233           234           235 
      1  -0.522143D+00  0.111045D+01 -0.337861D+00 -0.442514D+00  0.232637D+01
      2   0.656912D-01 -0.337861D+00 -0.608780D-01  0.223502D+00  0.282379D+01
      3   0.100747D+00 -0.442514D+00  0.223502D+00  0.101225D+01  0.145531D+00
               236           237           238           239           240 
      1   0.282379D+01  0.145531D+00  0.290559D+01  0.405715D+01 -0.687701D-01
      2   0.336027D+01  0.847266D-01  0.405715D+01  0.880739D+01 -0.118111D+00
      3   0.847266D-01  0.773062D+00 -0.687701D-01 -0.118111D+00  0.737608D+00
               241           242           243           244           245 
      1  -0.103211D+01 -0.846537D+00  0.831760D+00  0.273119D+00 -0.463495D+00
      2  -0.846537D+00 -0.188596D+01  0.712700D+00 -0.463495D+00 -0.529699D+00
      3   0.831760D+00  0.712700D+00 -0.167940D+00  0.165176D+01 -0.108956D+00
               246           247           248           249           250 
      1   0.165176D+01 -0.474679D+00 -0.102739D+01 -0.103159D+00  0.298571D+01
      2  -0.108956D+00 -0.102739D+01  0.240887D+00  0.769498D+00 -0.923519D-02
      3  -0.124838D+01 -0.103159D+00  0.769498D+00 -0.941027D-02 -0.210930D+01
               251           252           253           254           255 
      1  -0.923519D-02 -0.210930D+01  0.949130D+01 -0.529698D+00 -0.133221D+01
      2   0.115769D+01 -0.950225D-03 -0.529698D+00 -0.410591D+01 -0.100701D+00
      3  -0.950225D-03  0.648670D+01 -0.133221D+01 -0.100701D+00 -0.113807D+01
               256           257           258           259           260 
      1  -0.722775D+01 -0.482381D+01 -0.723373D+00 -0.500340D+01 -0.951699D+00
      2  -0.482381D+01  0.170575D+01 -0.263736D+01 -0.951699D+00 -0.387034D+01
      3  -0.723373D+00 -0.263736D+01  0.327831D+00 -0.133030D+01  0.121528D+01
               261           262           263           264           265 
      1  -0.133030D+01 -0.118680D+01  0.175853D+01  0.985895D-01  0.164187D+01
      2   0.121528D+01  0.175853D+01 -0.241771D+01  0.119759D-01 -0.324971D+01
      3   0.403329D+01  0.985895D-01  0.119759D-01 -0.312224D+00  0.127129D+00
               266           267           268           269           270 
      1  -0.324971D+01  0.127129D+00 -0.816857D+00  0.150578D+01 -0.485204D+00
      2   0.104975D+02 -0.251203D+00  0.150578D+01 -0.416505D+01  0.122478D+01
      3  -0.251203D+00  0.132619D+01 -0.485204D+00  0.122478D+01 -0.338881D+00
               271           272           273           274           275 
      1  -0.435765D+00  0.947301D-01 -0.591827D+00  0.607766D+00  0.233641D+00
      2   0.947301D-01  0.640185D+00  0.179753D+00  0.233641D+00 -0.555670D+00
      3  -0.591827D+00  0.179753D+00  0.360937D+00 -0.358389D-01 -0.572859D+00
               276           277           278           279           280 
      1  -0.358389D-01 -0.222077D+01 -0.592556D+00 -0.505013D+00 -0.165800D+02
      2  -0.572859D+00 -0.592556D+00 -0.180198D+01 -0.144561D+01 -0.235163D+01
      3  -0.726190D+00 -0.505013D+00 -0.144561D+01 -0.585877D+01  0.408118D+00
               281           282           283           284           285 
      1  -0.235163D+01  0.408118D+00  0.121371D+01 -0.973934D+00  0.652549D-01
      2  -0.157056D+01 -0.612003D-01 -0.973934D+00 -0.279075D+00  0.286080D+00
      3  -0.612003D-01 -0.939807D+00  0.652549D-01  0.286080D+00  0.967703D-01
               286           287           288           289           290 
      1   0.195250D+01  0.430853D+00 -0.131748D+01 -0.989606D-01 -0.721573D+00
      2   0.430853D+00  0.639518D+00 -0.321029D+00 -0.721573D+00  0.227875D+01
      3  -0.131748D+01 -0.321029D+00 -0.138668D-01  0.506274D+00 -0.280222D+00
               291           292           293           294           295 
      1   0.506274D+00 -0.109139D+01 -0.400160D-01 -0.135791D-01  0.140022D+01
      2  -0.280222D+00 -0.400160D-01 -0.739026D+01  0.169537D+01  0.373312D+00
      3   0.440705D+00 -0.135791D-01  0.169537D+01 -0.129208D+01 -0.248741D-01
               296           297 
      1   0.373312D+00 -0.248741D-01
      2   0.315961D+01 -0.157303D+01
      3  -0.157303D+01  0.804249D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.338779D+01  0.299070D+01  0.234208D+01  0.977076D+01  0.176259D+01
      2   0.566734D+01 -0.168586D+01  0.366990D+01 -0.212219D+01 -0.114933D+01
      3   0.166073D+02 -0.247932D+01 -0.906479D+00  0.108726D+02 -0.282064D-01
                 6             7             8             9            10 
      1  -0.216259D+01 -0.149994D+01  0.319551D+01  0.372068D+00 -0.508819D+01
      2  -0.416790D+00 -0.916335D+01  0.254063D+00 -0.328588D+00 -0.176309D+02
      3  -0.486897D+01 -0.158370D+02 -0.247060D+01  0.139135D+01 -0.331710D+02
                11            12            13            14            15 
      1  -0.788365D+00  0.183779D+01  0.170834D+01  0.419631D+00 -0.105742D+02
      2   0.278439D+00 -0.325074D+01  0.237049D+01 -0.193672D+01 -0.198723D+00
      3   0.283601D+00  0.438397D+00  0.119489D+02 -0.204959D+01  0.681073D-02
                16            17            18            19            20 
      1  -0.324723D+01 -0.373255D+01 -0.783157D+00 -0.391813D+01 -0.150937D+01
      2  -0.272446D+02 -0.324479D+01 -0.325231D+01 -0.722633D+01  0.202924D+00
      3   0.376720D+01  0.538479D+00 -0.741502D+00 -0.160480D+02  0.855221D+00
                21            22            23            24            25 
      1  -0.135972D+01 -0.594902D+01  0.249115D+01  0.682919D+00 -0.243706D+00
      2   0.780809D+01 -0.244044D+01  0.111414D+01 -0.114096D+01 -0.113028D+02
      3  -0.740189D-01  0.100352D+02  0.124243D+01  0.304927D+01 -0.143885D+02
                26            27            28            29            30 
      1   0.402866D+01  0.110498D+01  0.233992D+01 -0.433413D+00 -0.295001D+01
      2   0.767208D+00  0.170916D+01  0.137448D+02  0.105138D+01 -0.455447D+01
      3   0.520436D+01 -0.221322D+01  0.311183D+02 -0.110590D+01 -0.880124D+00
                31            32            33            34            35 
      1  -0.353013D+01  0.146698D+01 -0.103273D+02 -0.509102D+01 -0.247534D+01
      2  -0.101814D+00  0.280023D+01  0.115889D+01 -0.305115D+02  0.201412D+01
      3   0.874632D+01  0.446158D+01 -0.287704D+00 -0.703978D+00 -0.448000D+01
                36            37            38            39            40 
      1  -0.127037D+00 -0.169929D+01  0.137782D+01 -0.153069D+01  0.725154D+01
      2  -0.267705D+00 -0.130649D+02 -0.126293D+01  0.565035D+01 -0.627100D+00
      3   0.404912D+01 -0.123565D+02 -0.238628D+00  0.122437D+01  0.134887D+02
                41            42            43            44            45 
      1  -0.264485D+01 -0.290961D+01  0.381311D+01  0.180501D+01 -0.127880D+01
      2  -0.160579D+01  0.437551D+00  0.705379D+01 -0.230438D+00 -0.367521D+01
      3   0.160135D+00 -0.366330D+01  0.166014D+02 -0.265503D+01 -0.195315D+01
                46            47            48            49            50 
      1   0.352075D+01 -0.173024D+01  0.180938D+01 -0.715039D+01 -0.173410D+01
      2   0.146828D+02  0.414319D+00  0.103454D+02 -0.150448D+01  0.743253D+00
      3   0.171557D+02 -0.121009D+01  0.120028D+01  0.128830D+02 -0.715349D+00
                51            52            53            54            55 
      1  -0.235590D+01  0.160965D+01  0.320922D+01 -0.324672D+00  0.428202D+01
      2  -0.207550D+01  0.469361D+01 -0.764624D-01  0.563338D+01  0.336027D+01
      3   0.362474D+01  0.137267D+02  0.111668D+01  0.133080D+01  0.180445D+02
                56            57            58            59            60 
      1   0.192107D+01 -0.105039D+01  0.564540D+01  0.443054D+01  0.202383D+01
      2  -0.641880D-01 -0.405826D+01  0.145470D+01  0.631695D+01  0.143189D+02
      3   0.820627D+01 -0.760338D+00  0.405742D+02  0.786245D+01 -0.543442D+01
                61            62            63            64            65 
      1  -0.178029D+01  0.696706D+01 -0.171297D+01 -0.518177D+01 -0.109248D+01
      2  -0.253006D+02  0.158927D+02 -0.630636D+01  0.913839D+01 -0.308961D+01
      3  -0.905418D+01 -0.738414D+01 -0.104232D+02 -0.193172D+02 -0.197416D+02
                66            67            68            69            70 
      1  -0.154640D+01 -0.303112D+01 -0.787854D+00  0.324236D+00  0.197407D+01
      2   0.153248D+02 -0.871901D+01 -0.722722D+01 -0.193528D+02  0.137844D+02
      3   0.540512D+01 -0.339249D+02 -0.558223D+01  0.671487D+01  0.109280D+02
                71            72            73            74            75 
      1   0.731281D+01 -0.724340D+00  0.163390D+01  0.215360D+01 -0.481025D+00
      2  -0.184608D+02  0.171736D+02 -0.933501D+01  0.546138D+01 -0.139006D+02
      3   0.997231D+01  0.178462D+02  0.893398D+01  0.177235D+02 -0.706935D+01
                76            77            78            79            80 
      1   0.415768D+01  0.791466D+00 -0.519558D+01  0.293883D-01 -0.183280D+01
      2   0.676494D+01  0.145554D+02  0.237641D+02 -0.302736D+02  0.233410D+02
      3   0.394173D+02  0.110525D+02 -0.189286D+02 -0.713562D+01 -0.164139D+02
                81            82            83            84            85 
      1  -0.255278D+01  0.354343D+01 -0.483552D+01  0.498645D+01 -0.670029D+01
      2  -0.141785D+01 -0.155799D+02  0.699433D+01 -0.258038D+01  0.901272D+01
      3  -0.226185D+02  0.238787D+02  0.515256D+01 -0.825893D+01  0.142292D+02
                86            87            88            89            90 
      1  -0.105353D+02 -0.711373D+01  0.645289D+01 -0.743150D+00  0.929880D+01
      2   0.106880D+02  0.105943D+02 -0.922074D+01  0.910565D+01 -0.105811D+02
      3   0.853933D+01 -0.595270D+01 -0.931184D+01 -0.109040D+02 -0.135823D+02
                91            92            93            94            95 
      1   0.281095D+00  0.111631D+01  0.218060D+01  0.201655D+01 -0.862877D+00
      2  -0.638554D+01 -0.355232D+01  0.745343D+00  0.167757D+01 -0.101171D+02
      3  -0.347858D+01  0.474133D+01  0.301557D+01  0.388049D+02 -0.151560D+02
                96            97            98            99           100 
      1  -0.324323D+01  0.244043D+01  0.535183D+01 -0.186315D+01 -0.589604D+00
      2   0.222402D+00 -0.176601D+02  0.210675D+01  0.179904D+02  0.628544D+01
      3   0.608814D+01 -0.299300D+01  0.122282D+02 -0.254710D+01  0.142093D+02
               101           102           103           104           105 
      1  -0.674099D+01 -0.387856D+01 -0.115029D+01  0.189646D+00  0.163138D+01
      2   0.240233D+00  0.384131D+01 -0.292495D+01  0.100787D+02  0.603942D+01
      3  -0.172182D+02 -0.216240D+01 -0.107609D+02  0.864940D+01 -0.498412D+01
               106           107           108           109           110 
      1  -0.734106D+01 -0.207460D+01 -0.467551D+01  0.425046D+01  0.380662D+01
      2  -0.797746D+01  0.747866D+01 -0.249297D+02  0.830897D+01 -0.122398D+01
      3  -0.970824D+01  0.833725D+01 -0.529466D+01 -0.360646D+01 -0.331481D+01
               111           112           113           114           115 
      1   0.305683D+01  0.641436D+00  0.341945D+00 -0.381898D+01  0.417100D+01
      2   0.880443D+01  0.528196D+00  0.527133D+01 -0.524586D+01  0.919077D+01
      3  -0.625012D+00 -0.146562D+01  0.224984D+01 -0.584256D+01  0.149412D+02
               116           117           118           119           120 
      1   0.895415D+01  0.112878D+02 -0.379728D+01  0.229343D+01 -0.444847D+00
      2  -0.542029D+01  0.370582D+02 -0.597554D+01  0.145322D+01  0.120338D+01
      3  -0.191701D+02  0.551181D+01 -0.463329D+00  0.815748D+01  0.167470D+01
               121           122           123           124           125 
      1  -0.191931D+00 -0.409106D+01 -0.368373D+01 -0.218697D+01  0.652200D+01
      2  -0.106754D+01 -0.112144D+02 -0.171697D+01 -0.150459D+01 -0.603067D+01
      3   0.732001D+01 -0.120765D+02  0.991378D+01 -0.544043D+01  0.179140D+02
               126           127           128           129           130 
      1  -0.824875D+01  0.225360D+01  0.191347D+01  0.202653D+01 -0.939184D+00
      2  -0.103906D+02 -0.600597D+01 -0.105940D+00 -0.956672D+00  0.178196D+01
      3   0.694556D+01 -0.314312D+01 -0.149303D+01 -0.194284D+01  0.304978D+01
               131           132           133           134           135 
      1  -0.718647D-01 -0.214724D+01  0.275791D+01  0.281862D+01  0.488874D+01
      2  -0.185652D+00 -0.194195D+00 -0.417478D+01 -0.472967D-01  0.131049D+01
      3   0.120628D+00  0.277372D+00 -0.286891D+01 -0.187674D+01 -0.212732D+01
               136           137           138           139           140 
      1   0.181870D+01 -0.156084D+01 -0.201281D+01  0.452383D+00  0.120721D+00
      2   0.489366D+01  0.345068D-01 -0.136533D+01 -0.489493D+00 -0.136600D+00
      3   0.146986D+01 -0.684691D+00 -0.164737D+01  0.117869D+01  0.345133D-01
               141           142           143           144           145 
      1  -0.207835D+01 -0.202624D+01  0.376624D+01  0.537645D+01 -0.234104D+01
      2   0.493476D+00 -0.477062D+01 -0.252090D+00 -0.992992D+00 -0.767865D+01
      3  -0.168719D-01 -0.138374D+01  0.164186D+01  0.202907D+01  0.240935D+01
               146           147           148           149           150 
      1   0.251926D+01 -0.145968D+01  0.408476D+00 -0.453288D+00 -0.120490D+01
      2   0.954608D+00 -0.119596D+01  0.737408D+00 -0.377030D-01  0.302473D+00
      3  -0.144841D+01  0.147653D+01  0.324734D+00  0.565082D+00 -0.246124D+00
               151           152           153           154           155 
      1  -0.213298D+01  0.351664D+01 -0.344717D+01 -0.213475D+01 -0.149186D+01
      2  -0.440530D+01  0.307255D+00  0.114239D+01  0.495199D+01  0.425376D+00
      3   0.158043D+01 -0.236539D+01  0.203899D+01 -0.133995D+01 -0.808126D+00
               156           157           158           159           160 
      1   0.137924D+01  0.296655D+00 -0.109907D+00 -0.191148D+01  0.278631D+01
      2  -0.900098D+00 -0.198524D+00 -0.312633D+00 -0.138733D+00 -0.454902D+01
      3   0.127998D+01  0.173895D+01  0.235026D+00 -0.115001D-01  0.205610D+01
               161           162           163           164           165 
      1   0.377173D+01 -0.544027D+01 -0.967596D+00 -0.849834D-01  0.135157D+01
      2  -0.337189D+00 -0.238812D+01 -0.531963D+01  0.171947D+01  0.436968D+01
      3   0.195432D+01 -0.186416D+01 -0.343479D+00 -0.480466D+01 -0.240402D+00
               166           167           168           169           170 
      1   0.533715D+00 -0.127276D+01 -0.364019D+01  0.280978D+01 -0.100532D+01
      2   0.292083D+01 -0.851400D+01 -0.741962D+01  0.688686D+01 -0.102880D+02
      3  -0.405550D+01  0.104922D+02  0.548457D+01  0.417285D+01  0.998224D+01
               171           172           173           174           175 
      1  -0.398949D+01  0.165662D+01 -0.238761D+00  0.192503D+01 -0.146772D+01
      2  -0.992553D+01  0.655937D+01 -0.269276D+01  0.641371D+01 -0.173141D+01
      3   0.562212D+01 -0.126528D+00 -0.527455D+01  0.788894D+00 -0.250987D+01
               176           177           178           179           180 
      1   0.824157D+00 -0.319497D+01  0.196886D+01 -0.516496D+00  0.517486D+01
      2   0.322245D+01 -0.458597D+01  0.303797D+01 -0.783240D+01  0.131325D+02
      3   0.416725D+01 -0.215476D+01 -0.262412D+01 -0.630842D+01  0.432634D+01
               181           182           183           184           185 
      1   0.290513D+01  0.158923D+01  0.145071D+01  0.601693D+00 -0.548899D+00
      2  -0.108200D+02  0.152327D+01 -0.671948D+01  0.140446D+01 -0.497544D+01
      3  -0.215614D+01  0.362746D+01 -0.286222D+01  0.604584D+01 -0.545428D+01
               186           187           188           189           190 
      1  -0.221013D+01  0.158225D+01  0.179753D+01  0.311600D+01  0.123502D+01
      2   0.797731D+01 -0.106976D+02  0.727305D+01 -0.219111D+02 -0.475760D+01
      3   0.444684D+01 -0.358195D+01  0.506470D+01 -0.882918D+01  0.491436D+01
               191           192           193           194           195 
      1  -0.101858D+01 -0.279800D+00 -0.157798D+01  0.405847D+01  0.103450D+01
      2   0.160277D+01  0.579436D+01  0.412544D+01 -0.126783D+02 -0.165616D+02
      3  -0.516871D+01 -0.264864D+01 -0.835316D+01  0.165408D+02  0.138618D+02
               196           197           198           199           200 
      1  -0.122592D+01  0.492691D+01  0.221650D+01  0.151605D+00 -0.791426D-02
      2   0.102637D+02 -0.145171D+02 -0.246424D+02  0.124654D+02 -0.411496D+01
      3  -0.472191D+01  0.153260D+02  0.149471D+02  0.493521D+01 -0.745330D+01
               201           202           203           204           205 
      1   0.583258D+00 -0.763032D+00 -0.898117D-01 -0.119414D+01 -0.675252D-01
      2   0.123991D+02 -0.521995D+01  0.468587D+01 -0.962087D+01  0.154205D+02
      3   0.371493D+01 -0.793921D+01  0.657146D+01 -0.352392D+01  0.593573D+01
               206           207           208           209           210 
      1   0.161853D+01  0.777325D+00 -0.195563D+01 -0.203824D+01 -0.584967D+00
      2  -0.871985D+01  0.235558D+02 -0.175164D+01 -0.235878D+01  0.649890D+01
      3  -0.826794D+01  0.813763D+01 -0.129087D+02 -0.147195D+02  0.435151D+01
               211           212           213           214           215 
      1  -0.249092D+01 -0.445908D+01 -0.143873D+01 -0.270439D-01  0.183492D+01
      2  -0.470840D+01 -0.604814D+01  0.683285D+01  0.769168D+01  0.306780D+01
      3  -0.210279D+02 -0.309951D+02  0.871510D+01  0.523270D+01  0.801547D+01
               216           217           218           219           220 
      1   0.398799D+00 -0.368724D+01  0.187704D+01 -0.447329D+01  0.160308D+01
      2  -0.513361D+01  0.515504D+01  0.170365D+00  0.800836D+01 -0.822327D+00
      3  -0.351367D+01  0.365657D+00 -0.459453D+01  0.233511D+01 -0.192356D+01
               221           222           223           224           225 
      1  -0.220912D+01  0.296786D+01 -0.439204D+01  0.463225D+01 -0.122878D+02
      2   0.166803D+01 -0.710439D+01  0.250005D+01 -0.613667D+00  0.209867D+02
      3   0.237012D+01 -0.271740D+01  0.320316D+01 -0.518606D+01  0.331358D+01
               226           227           228           229           230 
      1  -0.383222D+01 -0.108446D+01  0.228175D+01 -0.486353D+00  0.398887D+00
      2   0.152227D+02 -0.300462D+01 -0.328213D+01 -0.169872D+01  0.159448D+01
      3  -0.225968D+02  0.583917D+01  0.526752D+01  0.604888D+01 -0.500004D+01
               231           232           233           234           235 
      1  -0.493547D+00  0.261374D+01  0.150508D+01 -0.164419D+01  0.181141D+01
      2  -0.145792D+00 -0.590439D+01  0.437357D+00  0.328006D+01 -0.112824D+01
      3  -0.111114D+01  0.394631D+01  0.577118D-01 -0.196114D+01 -0.639098D+01
               236           237           238           239           240 
      1   0.300517D+01 -0.297247D+01  0.463849D+01  0.776186D+01 -0.450995D+01
      2  -0.161329D+01  0.399342D+01 -0.315642D+01 -0.370924D+01  0.401106D+01
      3  -0.998916D+01 -0.290814D+00 -0.614877D+01 -0.273989D+02 -0.532133D-01
               241           242           243           244           245 
      1  -0.220691D+01 -0.156095D+01  0.130818D+01  0.409658D+00 -0.611903D+00
      2   0.262231D+01  0.282723D+01 -0.959116D+00 -0.663079D+01  0.576886D+00
      3   0.188437D+01  0.628933D+01 -0.130449D+01 -0.110286D+01 -0.231760D+01
               246           247           248           249           250 
      1  -0.806960D+00 -0.340554D+00  0.580548D+00 -0.382190D+00 -0.125047D+01
      2   0.414165D+01  0.172739D+00 -0.147075D+01  0.344659D-01  0.143051D+01
      3  -0.106503D+01 -0.133738D+01  0.990044D+00  0.206881D+01 -0.103050D+01
               251           252           253           254           255 
      1   0.341705D+01  0.257819D+01 -0.168393D+01  0.565097D+00 -0.308263D+01
      2  -0.155706D+00 -0.205018D+02  0.101314D+02  0.148006D+01  0.737889D+01
      3   0.315635D+01  0.163317D+01 -0.211963D+02 -0.178560D+02  0.182292D+01
               256           257           258           259           260 
      1  -0.156093D+01 -0.618609D+01  0.685184D+00 -0.721867D+00  0.585662D+01
      2   0.512173D+01  0.112263D+02 -0.323671D+01  0.530132D+01 -0.540396D+01
      3  -0.946781D+01  0.142611D+02 -0.991113D+01  0.106119D+01 -0.132050D+02
               261           262           263           264           265 
      1   0.858179D+01  0.764137D+00 -0.963753D+00  0.118747D+01 -0.252258D+01
      2  -0.193283D+02  0.500401D-01 -0.573989D+00  0.941358D+00 -0.836179D+00
      3   0.632454D+01  0.354441D+01 -0.557597D+01 -0.675734D+00 -0.559770D+01
               266           267           268           269           270 
      1   0.715853D+01 -0.436975D+01  0.112431D+01 -0.261554D+01  0.257492D+01
      2   0.249327D+01 -0.474127D+01  0.115624D+01 -0.437394D+01  0.173001D+01
      3   0.324320D+02 -0.437502D+00  0.343184D+01 -0.137089D+02  0.369389D+01
               271           272           273           274           275 
      1  -0.178742D+01 -0.511919D+00  0.934829D+00 -0.256540D+00 -0.156090D+01
      2   0.469916D+01 -0.373183D+00 -0.216545D+01  0.101959D+01  0.236173D+01
      3   0.664840D-01  0.163590D+01  0.149713D+01  0.104269D+01 -0.224983D+01
               276           277           278           279           280 
      1  -0.182696D+01  0.206622D+00  0.824974D+00 -0.120277D+02  0.852580D+00
      2   0.272469D+01 -0.250770D+01  0.526665D+01  0.242367D+02 -0.340623D+01
      3  -0.188448D+01  0.188043D+01 -0.555250D+01 -0.488777D+01  0.172146D+02
               281           282           283           284           285 
      1   0.596330D-01 -0.234229D+01  0.359346D+00  0.720992D+00 -0.468396D+00
      2   0.291320D+00  0.761257D+01 -0.771494D+00 -0.130591D+01  0.281341D+00
      3  -0.646059D+01 -0.123534D+01 -0.425949D+01  0.441078D+00  0.114380D+01
               286           287           288           289           290 
      1  -0.226476D+01  0.236156D+00 -0.314814D+00  0.156626D+01 -0.444862D+00
      2   0.424515D+01  0.102622D+01  0.483488D+00 -0.237121D+01  0.867484D+00
      3  -0.141674D+01  0.212433D+01  0.689758D+00 -0.457725D+01  0.861577D+01
               291           292           293           294           295 
      1   0.192304D+01 -0.225245D+00  0.407372D+01 -0.524406D+01  0.820933D+00
      2  -0.166552D+01  0.476529D-01 -0.619520D+01  0.470351D+01 -0.201794D+01
      3  -0.217310D+01  0.492964D+01 -0.272735D+02  0.688360D+01 -0.214884D+01
               296           297 
      1  -0.219372D+01  0.241238D+01
      2   0.537951D+01 -0.273957D+01
      3   0.110252D+02 -0.596961D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.534027D+01  0.320366D+01 -0.265251D+02  0.864496D+01 -0.129606D+02
      2   0.532783D+01 -0.432235D+01  0.798481D+01 -0.783394D+01  0.133553D+02
      3   0.124378D-01  0.111870D+01  0.185403D+02 -0.811013D+00 -0.394716D+00
      4   0.595688D+01  0.424850D+01  0.374118D+01  0.117477D+02 -0.306966D+01
      5  -0.105408D+02  0.367246D+01 -0.704268D+01  0.422398D+01  0.607357D+01
      6   0.299076D+01  0.593327D+01 -0.381348D+01  0.394182D+01 -0.105042D+02
                 6             7             8             9            10 
      1   0.105726D+02  0.399973D+02  0.440657D+01  0.533890D+01  0.541858D+02
      2  -0.118206D+02 -0.455424D+01 -0.703207D+01  0.411804D+01 -0.237187D+02
      3   0.124799D+01 -0.354431D+02  0.262550D+01 -0.945694D+01 -0.304671D+02
      4   0.548665D+01 -0.302915D+01  0.537389D+01  0.293281D+01 -0.134511D+02
      5   0.265347D+01 -0.104514D+01  0.201882D+01 -0.946918D+01 -0.123827D+02
      6   0.141276D+02  0.565588D+01  0.528532D+01  0.282634D+01  0.718480D+01
                11            12            13            14            15 
      1   0.737760D+01 -0.523131D+01  0.777039D+01  0.101076D+01  0.392459D+00
      2  -0.623760D+01  0.129233D+01 -0.127359D+02  0.899974D+01  0.123405D+01
      3  -0.114000D+01  0.393898D+01  0.496546D+01 -0.100105D+02 -0.162651D+01
      4  -0.139424D+01  0.355069D+00  0.220812D+02 -0.552150D+01 -0.100024D+01
      5  -0.563889D+00  0.106053D+02  0.444167D+01 -0.161140D+00 -0.332154D+01
      6   0.145003D+01 -0.844357D+01  0.115585D+01  0.191310D+01  0.659049D+01
                16            17            18            19            20 
      1  -0.934091D+01 -0.226500D+01 -0.168706D+02  0.438425D+01 -0.634985D+01
      2  -0.113176D+01  0.400091D+01 -0.221389D+01 -0.164019D+00  0.567936D+01
      3   0.104727D+02 -0.173591D+01  0.190845D+02 -0.422023D+01  0.670488D+00
      4   0.587678D+00 -0.160761D+01 -0.373914D+01 -0.436021D+01 -0.108614D+01
      5  -0.143166D+02 -0.362035D+01  0.569930D+00  0.920133D+01 -0.937799D-01
      6  -0.193880D+01 -0.401576D+01 -0.149503D+01 -0.182357D+01 -0.704325D+01
                21            22            23            24            25 
      1   0.256187D+02 -0.445567D+00 -0.111371D+02 -0.917083D+00 -0.257446D+02
      2  -0.117577D+02  0.196684D+01  0.844628D+01 -0.705235D+01 -0.285696D+01
      3  -0.138610D+02 -0.152127D+01  0.269087D+01  0.796943D+01  0.286016D+02
      4   0.131180D+01  0.157320D+02  0.335783D+01 -0.513296D+01 -0.488567D+01
      5  -0.125506D+02 -0.447922D+01 -0.441863D+01  0.206608D+01  0.486532D+01
      6   0.868372D+01 -0.397969D+01 -0.635181D+01  0.157747D+02 -0.273464D+01
                26            27            28            29            30 
      1   0.164679D+01  0.850443D+01  0.253032D+02 -0.162014D+01  0.369993D+01
      2  -0.394108D+01  0.625636D+01 -0.339542D+01  0.566177D+01  0.194035D+01
      3   0.229429D+01 -0.147608D+02 -0.219077D+02 -0.404163D+01 -0.564028D+01
      4  -0.829996D+01 -0.367733D+00  0.249864D+02  0.279768D+01 -0.150366D+00
      5  -0.340751D+00  0.101722D+02  0.184530D+01 -0.329678D+00  0.867369D+01
      6   0.779010D+01  0.609768D+00 -0.891370D+00 -0.268970D+01  0.433584D+01
                31            32            33            34            35 
      1  -0.172558D+01  0.179133D+01  0.114119D+01 -0.234660D+01  0.388729D+01
      2   0.456257D+01  0.674736D+01 -0.800422D+00 -0.641625D+00  0.328849D+00
      3  -0.283699D+01 -0.853870D+01 -0.340765D+00  0.298823D+01 -0.421614D+01
      4   0.200851D+02  0.191507D+01  0.198846D+01  0.643003D+00  0.687926D+01
      5   0.313793D+00  0.130748D+01 -0.201907D+00 -0.195185D+02 -0.309098D+00
      6  -0.345621D+01  0.874125D+00  0.349959D+01  0.138928D+01 -0.471480D+01
                36            37            38            39            40 
      1  -0.213023D+02  0.132518D+01 -0.182614D+01 -0.266007D+02 -0.370538D+01
      2  -0.809343D+00 -0.119654D+01  0.281426D+01  0.106000D+02  0.153698D+01
      3   0.221116D+02 -0.128633D+00 -0.988116D+00  0.160007D+02  0.216840D+01
      4  -0.293892D+01 -0.244362D+01  0.134455D+01  0.887636D+00  0.545720D+01
      5  -0.121163D+01 -0.201748D+02  0.165972D+01 -0.219555D+01  0.260179D+01
      6  -0.384932D+01  0.488562D+01  0.625600D+01  0.569989D+01  0.645353D+01
                41            42            43            44            45 
      1  -0.906291D+01 -0.135805D+01  0.283241D+02 -0.446429D+01  0.106801D+02
      2   0.938569D+01  0.278723D+01  0.221600D+01  0.179350D+01  0.133967D+01
      3  -0.322779D+00 -0.142918D+01 -0.305401D+02  0.267079D+01 -0.120197D+02
      4   0.195476D+01  0.668520D+01  0.688030D+01  0.667291D+01  0.233134D+01
      5   0.410786D+01  0.221756D+01  0.134827D+02  0.702542D+00 -0.882866D+01
      6   0.342087D+01  0.969414D+01  0.272122D+00  0.524561D+01  0.516933D+01
                46            47            48            49            50 
      1  -0.289337D+01 -0.177630D+01  0.229921D+02  0.609953D+01 -0.115638D+02
      2   0.707941D+01 -0.489380D+00 -0.894237D+01 -0.288807D+01  0.106348D+02
      3  -0.418604D+01  0.226568D+01 -0.140497D+02 -0.321146D+01  0.928982D+00
      4   0.391839D+01  0.167585D+01 -0.225084D+01  0.353357D+01  0.209071D+00
      5   0.223184D+02 -0.165652D+01 -0.696380D+01 -0.651351D+01 -0.357626D+01
      6  -0.444505D+01 -0.385373D+01 -0.948969D+00 -0.332161D+01  0.775962D+01
                51            52            53            54            55 
      1  -0.124450D+02 -0.315740D+02 -0.484681D+01  0.107508D+02 -0.416101D+02
      2   0.903896D+01  0.488464D+01  0.493596D+01  0.699186D+01  0.191003D+02
      3   0.340608D+01  0.266894D+02 -0.891505D-01 -0.177427D+02  0.225098D+02
      4  -0.494889D+01  0.464888D+01 -0.392013D+01 -0.175057D-01  0.194559D+01
      5   0.199147D+00  0.109406D+02  0.285453D+00  0.909184D+01  0.301263D+01
      6   0.136686D+02 -0.163482D+01  0.676129D+01  0.233539D+01 -0.665488D+01
                56            57            58            59            60 
      1  -0.823577D+01 -0.220676D+01 -0.552779D+02 -0.298111D+02  0.972665D+01
      2   0.482764D+01  0.132504D+01  0.298498D+02  0.129282D+02 -0.661882D+01
      3   0.340813D+01  0.881715D+00  0.254281D+02  0.168830D+02 -0.310782D+01
      4  -0.220334D+02  0.140204D+01 -0.525824D+02  0.746186D+01  0.121435D+02
      5   0.228034D+01 -0.166000D+02  0.775708D+01  0.127344D+02  0.231833D+02
      6  -0.118751D+01  0.517811D+01  0.386801D+01 -0.734954D+01 -0.107649D+02
                61            62            63            64            65 
      1   0.101185D+02  0.836335D+01 -0.130169D+02 -0.441863D+02  0.112230D+02
      2  -0.895743D+00 -0.384124D+01  0.374562D+01  0.297795D+02 -0.520044D+01
      3  -0.922274D+01 -0.452211D+01  0.927129D+01  0.144068D+02 -0.602256D+01
      4   0.193519D+01  0.156368D+02  0.357632D+02  0.138491D+02  0.292104D+02
      5  -0.335728D+02  0.320769D+02 -0.956544D+01  0.308579D+02 -0.616323D+01
      6   0.158724D+02 -0.118579D+02 -0.110726D+01  0.643551D+01  0.435045D+00
                66            67            68            69            70 
      1   0.318352D+02  0.597745D+02  0.483245D+02 -0.122571D+02  0.319099D+02
      2  -0.162572D+02 -0.243780D+02 -0.203172D+02  0.369197D+01 -0.161821D+02
      3  -0.155780D+02 -0.353965D+02 -0.280073D+02  0.856513D+01 -0.157278D+02
      4  -0.410369D+01  0.527633D+02  0.629888D+01 -0.163104D+02 -0.846434D+01
      5   0.170594D+02 -0.199594D+02 -0.185724D+02 -0.311745D+02  0.344136D+02
      6   0.683144D+01 -0.400812D+01 -0.247356D+01 -0.702868D+01  0.725900D+00
                71            72            73            74            75 
      1  -0.702027D+01  0.414080D+02  0.541183D+02 -0.137272D+02 -0.317567D+02
      2  -0.473659D+01 -0.213782D+02 -0.317990D+02  0.399817D+01  0.149997D+02
      3   0.117569D+02 -0.200298D+02 -0.223194D+02  0.972902D+01  0.167570D+02
      4  -0.185952D+02 -0.296752D+02 -0.194604D+02 -0.384708D+02  0.132823D+02
      5  -0.320562D+02  0.221562D+02 -0.287551D+02  0.147468D+02 -0.248175D+02
      6  -0.500834D+01  0.765246D+01  0.253452D+01  0.679412D+01 -0.886533D+00
                76            77            78            79            80 
      1  -0.305261D+02 -0.506608D+02  0.208926D+02 -0.344156D+02  0.178579D+02
      2   0.801681D+01  0.257053D+02 -0.172845D+01  0.150250D+02 -0.723186D+00
      3   0.225093D+02  0.249555D+02 -0.191642D+02  0.193906D+02 -0.171347D+02
      4  -0.656076D+02 -0.250954D+02  0.345436D+02  0.164867D+02  0.292730D+02
      5   0.218576D+02  0.378450D+02  0.407261D+02 -0.457632D+02  0.414543D+02
      6   0.120031D+02  0.510628D+01 -0.669760D+01  0.216500D+00 -0.607295D+01
                81            82            83            84            85 
      1  -0.418947D+02  0.533233D+02 -0.110869D+02 -0.151523D+02 -0.143148D+02
      2   0.258972D+02 -0.355156D+02 -0.728920D+01  0.175588D+02 -0.115419D+02
      3   0.159975D+02 -0.178076D+02  0.183761D+02 -0.240647D+01  0.258567D+02
      4   0.397879D+02 -0.749706D+01 -0.301226D+02  0.211191D+01 -0.390021D+02
      5  -0.111996D+00 -0.125765D+02  0.502412D+01 -0.172481D+02  0.843181D+01
      6  -0.631309D+01 -0.583738D+01 -0.159269D+00 -0.588703D+01  0.946596D+00
                86            87            88            89            90 
      1  -0.251144D+02 -0.180447D+01 -0.134799D+02 -0.242001D+01 -0.248000D+02
      2  -0.796362D+01 -0.620471D+00  0.180271D+02  0.537719D+01  0.290192D+02
      3   0.330780D+02  0.242494D+01 -0.454712D+01 -0.295718D+01 -0.421924D+01
      4  -0.394461D+02  0.156912D+02  0.370100D+01  0.276973D+02  0.153970D+02
      5   0.125791D+02  0.269231D+02 -0.263785D+02  0.223953D+02 -0.297885D+02
      6   0.664934D+01  0.111047D+02 -0.362346D+01  0.904799D+01 -0.303597D+01
                91            92            93            94            95 
      1   0.805588D+01 -0.294023D+01  0.258500D+00 -0.158708D+02 -0.221651D+02
      2  -0.118661D+02 -0.432556D+01 -0.316202D+01  0.428955D+01  0.258253D+01
      3   0.381018D+01  0.726579D+01  0.290352D+01  0.115812D+02  0.195826D+02
      4  -0.218660D+02 -0.244343D+02 -0.619574D+01 -0.571976D+02  0.109596D+02
      5  -0.208947D+01 -0.521645D+01 -0.739248D+01 -0.442052D+01 -0.121514D+02
      6  -0.274795D+01 -0.143512D+01 -0.355427D+01 -0.539565D+01 -0.277376D+01
                96            97            98            99           100 
      1  -0.186230D+01 -0.135333D+02 -0.445125D+01 -0.158634D+01 -0.275662D+01
      2   0.142216D+01 -0.548558D+01  0.251030D+00  0.121025D+02  0.304445D+01
      3   0.440141D+00  0.190189D+02  0.420023D+01 -0.105162D+02 -0.287833D+00
      4  -0.123801D+02 -0.119558D+02 -0.272060D+02 -0.390937D-01  0.855085D+01
      5  -0.469767D+00 -0.106321D+02  0.117068D+01  0.385581D+02 -0.195806D+02
      6   0.118191D-01 -0.247003D+01  0.274537D+01  0.335245D+01  0.559725D+01
               101           102           103           104           105 
      1   0.326570D+01 -0.908070D+01  0.134317D+02  0.781832D+01  0.522385D+01
      2  -0.125577D+01  0.920753D+01 -0.117892D+02  0.182641D+00 -0.979736D+01
      3  -0.200993D+01 -0.126826D+00 -0.164245D+01 -0.800096D+01  0.457350D+01
      4   0.332256D+01  0.607324D+01  0.961287D+01 -0.255751D+02  0.164333D+02
      5   0.563410D+01 -0.716206D+01 -0.655339D+00  0.162378D+02  0.134857D+02
      6  -0.422326D+01  0.607387D+01  0.617988D+01 -0.145873D+02 -0.876311D+01
               106           107           108           109           110 
      1  -0.312097D+02  0.729086D+01 -0.997126D+01  0.410364D+02 -0.633704D+01
      2   0.206972D+02 -0.462364D+01  0.115187D+02 -0.263832D+02  0.199323D+01
      3   0.105125D+02 -0.266723D+01 -0.154743D+01 -0.146531D+02  0.434382D+01
      4   0.171018D+02 -0.323421D+01  0.170075D+02 -0.153313D+02  0.149003D+02
      5  -0.292018D+02  0.152272D+02 -0.417324D+02  0.379743D+02 -0.498688D+01
      6   0.119165D+02 -0.165876D+02  0.141125D+02 -0.103833D+02  0.327152D+01
               111           112           113           114           115 
      1   0.271026D+02 -0.444922D+01  0.221596D+01  0.112988D+01  0.474208D+02
      2  -0.194538D+02 -0.209034D+00  0.720498D+00  0.101617D+00 -0.287530D+02
      3  -0.764877D+01  0.465825D+01 -0.293646D+01 -0.123150D+01 -0.186678D+02
      4  -0.892774D+01  0.150804D+02 -0.416306D+01  0.121809D+02 -0.225473D+02
      5   0.270760D+02 -0.657310D+01  0.121487D+02 -0.102905D+02  0.485666D+02
      6  -0.619750D+01  0.482236D+01 -0.626181D+01  0.131083D+02 -0.127323D+02
               116           117           118           119           120 
      1  -0.294685D+01  0.108558D+02  0.116844D+01 -0.133503D+02 -0.991187D+01
      2  -0.230141D+01 -0.309420D+02 -0.128838D+01  0.162150D+02  0.424431D+01
      3   0.524825D+01  0.200862D+02  0.119941D+00 -0.286469D+01  0.566757D+01
      4   0.291916D+02 -0.151089D+02 -0.243857D+01 -0.595638D+01  0.707681D+01
      5  -0.138671D+02  0.756947D+02 -0.905073D+01  0.228538D+01  0.467557D+01
      6   0.155402D+02 -0.282684D+02  0.500052D+01 -0.235380D+00 -0.474299D+00
               121           122           123           124           125 
      1  -0.105188D+02 -0.761589D+01 -0.555138D+01 -0.129131D+02 -0.708027D+01
      2   0.158158D+02 -0.862680D+01  0.119197D+02 -0.325905D+00  0.215817D+02
      3  -0.529696D+01  0.162427D+02 -0.636836D+01  0.132390D+02 -0.145014D+02
      4  -0.664683D+01  0.382567D+02 -0.213475D+02  0.211060D+02 -0.392824D+02
      5   0.814221D+01 -0.213905D+02 -0.652428D+01  0.117806D+02 -0.157544D+02
      6  -0.580553D+01  0.210989D+02  0.107301D+02 -0.522115D+01  0.171149D+02
               126           127           128           129           130 
      1  -0.449301D+01  0.536575D+00  0.163581D+01 -0.356863D+01 -0.850563D+00
      2  -0.829743D+00 -0.659450D+01 -0.549881D+00 -0.618060D+01  0.173832D+01
      3   0.532275D+01  0.605793D+01 -0.108593D+01  0.974923D+01 -0.887753D+00
      4  -0.135871D+02 -0.584889D+01  0.437076D+01 -0.535450D+01  0.929989D+00
      5  -0.228139D+02  0.176434D+02 -0.305890D+01  0.177909D+02 -0.287628D+01
      6   0.176967D+02 -0.658128D+01  0.370989D+01 -0.713705D+01  0.188095D+01
               131           132           133           134           135 
      1  -0.155279D+01  0.157821D+01 -0.583471D+01  0.433546D+01 -0.212402D+02
      2  -0.348762D+00  0.117471D+01 -0.753001D+01 -0.330606D+00 -0.121748D+02
      3   0.190155D+01 -0.275292D+01  0.133647D+02 -0.400485D+01  0.334150D+02
      4  -0.146969D+01  0.237187D+01 -0.468593D+01  0.401292D+01 -0.673115D+01
      5   0.233822D+01 -0.366884D+01  0.181578D+02 -0.380510D+01  0.266260D+02
      6  -0.118758D+01  0.322925D+01 -0.738510D+01  0.739361D+01 -0.147257D+02
               136           137           138           139           140 
      1  -0.288079D+01 -0.152687D+00  0.588516D+01 -0.661551D+00 -0.143194D+01
      2  -0.580229D+01 -0.291040D-02  0.631020D+01  0.623412D-01 -0.487335D+00
      3   0.868309D+01  0.155597D+00 -0.121954D+02  0.599210D+00  0.191927D+01
      4   0.276231D+01  0.214439D+01 -0.271149D+01  0.321426D+00 -0.268283D+00
      5  -0.119209D+02 -0.715994D+00  0.152059D+02  0.798575D-01 -0.127681D+01
      6  -0.288511D+01 -0.186491D+01  0.314723D+01 -0.360412D+00 -0.353622D+00
               141           142           143           144           145 
      1   0.854398D+00  0.894914D+01  0.282585D+01 -0.329318D+02  0.311979D+01
      2   0.399268D+00  0.654860D+01 -0.454822D+00 -0.167446D+02 -0.512174D+01
      3  -0.125367D+01 -0.154977D+02 -0.237103D+01  0.496764D+02  0.200195D+01
      4  -0.946267D+00 -0.294946D+01 -0.275247D+01  0.421276D+01  0.767430D+00
      5  -0.279562D+00  0.141554D+02  0.151765D+01 -0.237476D+02  0.110799D+02
      6   0.229452D+01  0.462321D+01  0.674610D+01 -0.124278D+02  0.142140D+01
               146           147           148           149           150 
      1  -0.400601D+00 -0.162436D+01 -0.704918D+00 -0.371074D+00  0.154732D+01
      2   0.631219D+00 -0.408139D+01  0.546250D+00 -0.616405D+00  0.496122D+00
      3  -0.230618D+00  0.570575D+01  0.158668D+00  0.987479D+00 -0.204345D+01
      4   0.293292D+01  0.634091D+00  0.162465D+01 -0.123738D+01  0.576601D+00
      5  -0.108694D+01  0.105724D+02 -0.103788D+01  0.199798D+01 -0.212090D+01
      6   0.128873D+01  0.142567D+01  0.234759D+00 -0.914283D+00  0.955570D+00
               151           152           153           154           155 
      1  -0.457901D+01  0.803335D+00 -0.157052D+02  0.251656D+00  0.126031D+01
      2  -0.538829D+01  0.799041D+00 -0.929637D+01 -0.531161D+01 -0.881936D+00
      3   0.996729D+01 -0.160238D+01  0.250016D+02  0.505995D+01 -0.378376D+00
      4   0.974122D+00  0.266546D+01  0.129048D+01 -0.167578D+01  0.226802D+01
      5   0.131267D+02 -0.103334D+01  0.180432D+02 -0.994732D+01  0.459340D+00
      6   0.220411D+01  0.402540D+01  0.365393D+01  0.340345D+01 -0.159015D+01
               156           157           158           159           160 
      1   0.285444D+01 -0.108059D+01 -0.146686D+01  0.142046D+01  0.431276D+01
      2   0.517730D+01  0.651273D+00 -0.351225D+00 -0.923880D-01  0.681960D+01
      3  -0.803174D+01  0.429315D+00  0.181809D+01 -0.132808D+01 -0.111324D+02
      4   0.220614D+01  0.111839D+01 -0.584473D+00 -0.123972D+01  0.152420D+01
      5   0.128066D+02  0.631947D+00 -0.194416D+01 -0.735143D+00  0.134700D+02
      6  -0.431588D+01 -0.135126D+01  0.672464D-01  0.167108D+01 -0.404324D+01
               161           162           163           164           165 
      1  -0.160228D+01 -0.251569D+02  0.132820D+02 -0.559437D+01 -0.678051D+01
      2   0.853308D+00 -0.134867D+02 -0.465369D+01  0.103783D+01  0.277245D+01
      3   0.748970D+00  0.386435D+02 -0.862833D+01  0.455654D+01  0.400806D+01
      4  -0.265742D+01 -0.290041D+01 -0.130939D+02  0.162326D+02  0.687457D+01
      5  -0.413998D+00 -0.214986D+02 -0.118101D+02  0.542925D+01  0.899904D+01
      6   0.559552D+01  0.106116D+02  0.549794D+01 -0.237223D+01 -0.266022D+01
               166           167           168           169           170 
      1  -0.309793D+01 -0.323506D+01 -0.335207D+01 -0.229508D+02 -0.512467D+01
      2  -0.294582D+01  0.129353D+02  0.589909D+01  0.992455D+01  0.620898D+01
      3   0.604375D+01 -0.970025D+01 -0.254701D+01  0.130263D+02 -0.108431D+01
      4   0.248048D+02 -0.318957D+02 -0.176026D+02  0.166250D+02 -0.253463D+02
      5   0.876104D+01 -0.160198D+02 -0.130339D+02  0.213128D+02 -0.189369D+02
      6  -0.649108D+01  0.129567D+02  0.107657D+02 -0.104720D+02  0.129081D+02
               171           172           173           174           175 
      1   0.544453D+00  0.178158D+02 -0.436953D+01  0.913452D+01  0.950210D+00
      2  -0.112849D+01 -0.884451D+01  0.175087D+00 -0.458183D+01 -0.301778D+01
      3   0.584040D+00 -0.897128D+01  0.419445D+01 -0.455268D+01  0.206757D+01
      4  -0.218951D+02 -0.123216D+02  0.148976D+02 -0.879129D+01  0.144107D+02
      5  -0.211886D+02  0.156615D+02 -0.718562D+01  0.134949D+02 -0.587679D+01
      6   0.124670D+02 -0.513325D+01  0.261570D+01 -0.348573D+01  0.404793D+01
               176           177           178           179           180 
      1   0.142833D+01  0.842699D+00  0.205353D+02  0.203223D+00  0.222298D+01
      2   0.352335D+01 -0.239035D+01 -0.103010D+02 -0.241525D+01 -0.346069D+01
      3  -0.495168D+01  0.154765D+01 -0.102343D+02  0.221203D+01  0.123771D+01
      4  -0.157777D+02  0.911336D+01 -0.143095D+02  0.169785D+02 -0.186841D+02
      5   0.864507D+01 -0.869647D+01  0.189413D+02 -0.165400D+02  0.274939D+02
      6  -0.564593D+01  0.777671D+01 -0.707277D+01  0.917494D+01 -0.104628D+02
               181           182           183           184           185 
      1  -0.109631D+02  0.313248D+01 -0.155138D+02  0.126539D+01 -0.158671D+02
      2   0.306724D+01 -0.158564D+01  0.555111D+01 -0.132564D+01  0.922421D+01
      3   0.789589D+01 -0.154684D+01  0.996269D+01  0.602459D-01  0.664286D+01
      4  -0.233883D+01 -0.542105D+01  0.937612D+00 -0.259373D+01  0.726744D+01
      5  -0.855946D+01  0.141604D+01 -0.550671D+01  0.125564D+01 -0.541182D+01
      6  -0.461743D+01  0.173898D+01 -0.487453D+01  0.202994D+01 -0.578735D+01
               186           187           188           189           190 
      1   0.855275D+01 -0.273023D+02  0.847211D+01 -0.259900D+02  0.117333D+02
      2  -0.428018D+01  0.112472D+02 -0.177700D+01  0.561701D+00 -0.804740D+01
      3  -0.427257D+01  0.160551D+02 -0.669511D+01  0.254283D+02 -0.368592D+01
      4  -0.515613D+01  0.315440D+00 -0.800488D+01  0.107001D+02 -0.976415D+01
      5   0.138434D+02 -0.268366D+01  0.122502D+02 -0.335236D+02 -0.126820D+02
      6   0.104515D+02 -0.282465D+01  0.790419D+01 -0.138894D+02  0.276779D+01
               191           192           193           194           195 
      1  -0.996670D+01 -0.107267D+02 -0.247022D+02  0.133850D+02  0.725121D+01
      2   0.604022D+01  0.711743D+01  0.155554D+02 -0.810919D+01 -0.977928D+01
      3   0.392648D+01  0.360930D+01  0.914685D+01 -0.527580D+01  0.252807D+01
      4   0.110908D+02  0.593058D+01  0.237774D+02 -0.308282D+02 -0.271876D+02
      5   0.695935D+01  0.156591D+02  0.178500D+02 -0.282017D+02 -0.340785D+02
      6  -0.187445D+01 -0.123940D+01 -0.480924D+01  0.834929D+01  0.848169D+01
               196           197           198           199           200 
      1  -0.250003D+02  0.439689D+01  0.157931D+02  0.475634D+02 -0.111006D+02
      2   0.187721D+02 -0.802484D+01 -0.228321D+02 -0.235702D+02  0.542586D+01
      3   0.622818D+01  0.362795D+01  0.703897D+01 -0.239932D+02  0.567472D+01
      4   0.115995D+02 -0.282095D+02 -0.280406D+02 -0.991079D+01  0.141860D+02
      5   0.346905D+02 -0.295140D+02 -0.529801D+02  0.223527D+02 -0.775386D+01
      6  -0.284971D+01  0.860584D+01  0.787409D+01 -0.746138D+00 -0.856422D+00
               201           202           203           204           205 
      1   0.243788D+02 -0.218232D+02  0.175828D+02 -0.103109D+02  0.581232D+02
      2  -0.111442D+02  0.107705D+02 -0.738876D+01  0.344040D+01 -0.296290D+02
      3  -0.132346D+02  0.110526D+02 -0.101940D+02  0.687046D+01 -0.284942D+02
      4  -0.773898D+01  0.218293D+02 -0.127048D+02  0.752293D+01 -0.126079D+02
      5   0.220364D+02 -0.102121D+02  0.716845D+01 -0.169297D+02  0.343354D+02
      6   0.311734D+00 -0.158652D+00 -0.147813D+01  0.287542D+01 -0.114122D+00
               206           207           208           209           210 
      1  -0.128714D+02  0.296010D+02  0.509227D+02  0.287880D+02 -0.919312D+01
      2   0.525595D+01 -0.171682D+02 -0.223567D+02 -0.120461D+02  0.533794D+01
      3   0.761549D+01 -0.124328D+02 -0.285660D+02 -0.167418D+02  0.385518D+01
      4   0.148869D+02 -0.154613D+02  0.360478D+02  0.328073D+02 -0.103449D+02
      5  -0.160028D+02  0.426273D+02 -0.153300D+02 -0.117641D+02  0.141972D+02
      6   0.244781D+01  0.348863D+00 -0.637973D+01 -0.507211D+01  0.297094D+01
               211           212           213           214           215 
      1   0.622324D+02  0.340766D+02 -0.135272D+02 -0.115265D+02 -0.789912D+01
      2  -0.251021D+02 -0.690817D+01  0.665336D+01  0.731032D+01  0.360682D+01
      3  -0.371303D+02 -0.271684D+02  0.687387D+01  0.421621D+01  0.429230D+01
      4   0.573514D+02  0.644217D+02 -0.194651D+02 -0.129831D+02 -0.159365D+02
      5  -0.240406D+02 -0.206326D+02  0.161599D+02  0.231373D+02  0.956144D+01
      6  -0.103919D+02 -0.121625D+02  0.826790D+01  0.528994D+01  0.750893D+01
               216           217           218           219           220 
      1   0.137354D+02  0.112646D+02 -0.135537D+01  0.123415D+02 -0.726147D+01
      2  -0.843627D+01 -0.979641D+01  0.388315D+01 -0.131308D+02  0.734380D+01
      3  -0.529909D+01 -0.146817D+01 -0.252778D+01  0.789319D+00 -0.823323D-01
      4   0.899457D+01  0.335075D+01  0.891083D+01  0.317328D+01  0.526278D+01
      5  -0.139598D+02  0.194281D+02  0.886250D-01  0.242250D+02 -0.718594D+01
      6  -0.429176D+01  0.371493D+01  0.207634D+01  0.524638D+01  0.695952D+00
               221           222           223           224           225 
      1   0.343125D+01 -0.293763D+01  0.148072D+02 -0.253285D+01  0.375076D+01
      2  -0.206900D+01  0.723666D+01 -0.157338D+02  0.537885D+01 -0.244753D+02
      3  -0.136225D+01 -0.429903D+01  0.926614D+00 -0.284600D+01  0.207245D+02
      4  -0.116859D+01  0.419082D+01  0.484589D+01  0.768752D+01  0.239457D+01
      5   0.594231D+01 -0.161743D+02  0.248557D+02 -0.133292D+01  0.538523D+02
      6  -0.156952D+01  0.301826D+00  0.575415D+01  0.430066D+01  0.140066D+02
               226           227           228           229           230 
      1  -0.559668D+02  0.141331D+02  0.126347D+02  0.726034D+01 -0.104995D+02
      2   0.311971D+02 -0.124891D+02 -0.721295D+01 -0.551492D+01  0.106139D+02
      3   0.247697D+02 -0.164395D+01 -0.542175D+01 -0.174542D+01 -0.114461D+00
      4  -0.142436D+02 -0.407680D+01 -0.161449D+01  0.222358D+01  0.360444D+01
      5  -0.577345D+00 -0.418077D+01 -0.361103D+01 -0.107738D+01 -0.675473D+00
      6   0.323099D+01 -0.525720D+01 -0.484387D+01 -0.375281D+01  0.193653D+01
               231           232           233           234           235 
      1  -0.390442D+01  0.959262D+01 -0.255934D+01 -0.599323D+01  0.132015D+02
      2   0.244012D+01 -0.517487D+01  0.885043D+00  0.250381D+00  0.302942D+01
      3   0.146430D+01 -0.441775D+01  0.167430D+01  0.574285D+01 -0.162309D+02
      4  -0.127977D+01  0.149144D+01 -0.254784D+01 -0.121694D+01  0.279932D+02
      5  -0.232574D+01  0.250358D+01 -0.343106D+00  0.524929D+01  0.233436D+01
      6   0.168296D+01 -0.347247D+01  0.286445D+01  0.340557D+01  0.186497D+01
               236           237           238           239           240 
      1   0.124601D+02 -0.446039D+00  0.127066D+02 -0.191569D+01 -0.977858D+00
      2   0.728683D+01 -0.140860D+01  0.100681D+02  0.395354D+02 -0.116225D+01
      3  -0.197470D+02  0.185464D+01 -0.227747D+02 -0.376197D+02  0.214011D+01
      4   0.348977D+02  0.386207D+00  0.405881D+02  0.724014D+02 -0.119641D+01
      5   0.253921D+01  0.790258D+01  0.223442D+01  0.198457D+01  0.655235D+01
      6   0.235820D+01  0.371190D+01  0.194118D+01  0.506149D+01  0.678200D+01
               241           242           243           244           245 
      1  -0.539927D+01 -0.612742D+00  0.292980D+01  0.207975D+01  0.126606D+01
      2  -0.107138D+01 -0.641069D+01  0.132262D+00 -0.622534D+01 -0.333633D-02
      3   0.647064D+01  0.702344D+01 -0.306206D+01  0.414559D+01 -0.126272D+01
      4  -0.790061D+01 -0.149718D+02  0.712067D+01  0.272108D+01  0.550863D+01
      5   0.783746D+01  0.549431D+01 -0.828989D+00 -0.144328D+02  0.690296D+00
      6   0.402171D+01  0.651484D+01 -0.200558D+01 -0.111355D+01 -0.733243D-01
               246           247           248           249           250 
      1  -0.822826D+01  0.118221D+01  0.138622D+01  0.170130D+00 -0.101065D+02
      2   0.697188D+01  0.365081D+00 -0.135576D+01 -0.122532D+01  0.109004D+02
      3   0.125639D+01 -0.154729D+01 -0.304564D-01  0.105518D+01 -0.793836D+00
      4  -0.369535D+00  0.887098D+01 -0.111690D+01 -0.467331D+01 -0.214422D+01
      5   0.140887D+02  0.588545D+00 -0.515140D+01 -0.240618D-01  0.198052D+02
      6   0.114076D+01 -0.137977D+01 -0.576982D+00  0.547875D+01  0.906052D+00
               251           252           253           254           255 
      1   0.585525D+00 -0.406743D+01 -0.949058D+02 -0.117041D+02  0.843380D+01
      2  -0.956500D+00 -0.179136D+02  0.520028D+02  0.160568D+02 -0.608938D+01
      3   0.370974D+00  0.219810D+02  0.429030D+02 -0.435272D+01 -0.234442D+01
      4  -0.812435D+01  0.170564D+01 -0.194826D+02  0.295426D+02  0.360719D+01
      5   0.355861D+00 -0.465463D+02  0.127971D+02  0.885267D+00  0.998721D+01
      6   0.376419D+01 -0.461453D+01  0.693449D+01  0.358126D+00  0.544316D+01
               256           257           258           259           260 
      1   0.206513D+02  0.356349D+02 -0.522278D+01  0.208131D+02 -0.490315D+01
      2   0.273847D+01 -0.263964D+02  0.116251D+02 -0.540051D+01  0.156899D+02
      3  -0.233898D+02 -0.923856D+01 -0.640229D+01 -0.154126D+02 -0.107867D+02
      4   0.459828D+02  0.889036D+00  0.187427D+02  0.144213D+02  0.272119D+02
      5   0.577502D+01  0.205605D+02 -0.399808D+01  0.117328D+02 -0.837809D+01
      6   0.490930D+01  0.148816D+02 -0.142608D+01  0.536053D+01 -0.405992D+01
               261           262           263           264           265 
      1   0.178679D+02  0.497726D+01 -0.822817D+01  0.470140D+00 -0.337536D+01
      2  -0.661747D+01  0.468578D+01 -0.428911D+01  0.312553D+00 -0.105841D+02
      3  -0.112504D+02 -0.966304D+01  0.125173D+02 -0.782693D+00  0.139595D+02
      4  -0.341842D+01 -0.162855D+02  0.242586D+02 -0.106337D+01  0.285730D+02
      5  -0.302328D+02 -0.831531D+00  0.127758D+00  0.262502D+01  0.656718D-01
      6  -0.144408D+02 -0.244922D+00  0.203227D+00 -0.825734D+00  0.502650D+00
               266           267           268           269           270 
      1  -0.129997D+02 -0.140344D+00  0.168316D+01  0.322382D+01 -0.169084D+01
      2   0.467151D+02 -0.208477D+01  0.476721D+01 -0.170481D+02  0.497832D+01
      3  -0.337154D+02  0.222511D+01 -0.645037D+01  0.138243D+02 -0.328749D+01
      4  -0.718779D+02  0.202254D+01 -0.124970D+02  0.295119D+02 -0.835394D+01
      5  -0.160012D+00 -0.840948D+01  0.367675D+01 -0.753782D+01  0.236884D+01
      6  -0.763656D+00  0.602570D+01 -0.322737D+01  0.900095D+01 -0.282237D+01
               271           272           273           274           275 
      1   0.642949D+01  0.314152D+01  0.571743D+01 -0.205945D+01 -0.715871D+01
      2  -0.557347D+01 -0.346908D+01 -0.231262D+01  0.192254D+00  0.571604D+01
      3  -0.856018D+00  0.327561D+00 -0.340481D+01  0.186720D+01  0.144268D+01
      4   0.114042D+01 -0.319951D+01  0.950267D+00 -0.123324D+01  0.252467D+01
      5   0.352485D+01 -0.520255D+00 -0.219933D+00  0.486430D+00  0.357976D+01
      6   0.167614D+01 -0.111023D+01 -0.155272D+01  0.842878D-01  0.247342D+01
               276           277           278           279           280 
      1  -0.241603D+01  0.124880D+02 -0.295272D+01 -0.129136D+02  0.137760D+03
      2   0.157240D+01 -0.595698D+01  0.346482D+01 -0.306061D+01 -0.645913D+02
      3   0.843629D+00 -0.653102D+01 -0.512104D+00  0.159743D+02 -0.731688D+02
      4   0.348623D+01  0.957957D+01  0.129335D+02  0.880672D+01  0.530614D+02
      5   0.521602D+01  0.744270D+01  0.102695D+02  0.421234D+02 -0.513374D+01
      6   0.645797D+01  0.204976D+01  0.923858D+01  0.232543D+02 -0.227529D+01
               281           282           283           284           285 
      1   0.138821D+02 -0.526277D+01 -0.812591D+01  0.705595D+01  0.733241D+00
      2  -0.182634D+01  0.290654D+01  0.697030D+01 -0.108255D+01 -0.155728D+01
      3  -0.120557D+02  0.235623D+01  0.115561D+01 -0.597340D+01  0.824038D+00
      4   0.215770D+02 -0.923697D+00  0.113704D+02  0.446213D+01 -0.222450D+01
      5  -0.143707D+00  0.129991D+02 -0.128988D+00 -0.251140D+01 -0.950590D-03
      6   0.298040D+00  0.382659D+01 -0.107022D+00 -0.110759D+01  0.802541D+00
               286           287           288           289           290 
      1  -0.141830D+02 -0.948839D+00  0.961641D+01  0.141230D+01  0.139055D+02
      2   0.687587D+01 -0.146672D+01 -0.591462D+01  0.162832D+01 -0.147391D+02
      3   0.730717D+01  0.241556D+01 -0.370179D+01 -0.304062D+01  0.833577D+00
      4  -0.698660D+01 -0.526019D+01  0.478426D+01  0.367702D+01 -0.869568D+01
      5   0.161388D+02  0.297385D+01 -0.719813D+00 -0.316283D+01  0.157389D+01
      6   0.418577D+01  0.214365D+01  0.477133D+00 -0.238088D+01  0.211102D+01
               291           292           293           294           295 
      1  -0.489037D+01  0.933122D+01 -0.307083D+02  0.692076D+01 -0.796358D+01
      2   0.377662D+01 -0.462105D+01  0.483825D+02 -0.100542D+02  0.266834D+01
      3   0.111375D+01 -0.471017D+01 -0.176742D+02  0.313346D+01  0.529523D+01
      4  -0.349914D+00  0.754116D+01  0.447307D+02 -0.105953D+02 -0.652028D+01
      5  -0.267224D+01 -0.461497D+00 -0.129953D+02  0.923197D+01  0.155329D+01
      6  -0.288645D+01 -0.436172D+00 -0.106481D+02  0.876672D+01  0.287599D+00
               296           297 
      1   0.916865D+01 -0.844041D+01
      2  -0.143623D+02  0.750607D+01
      3   0.519368D+01  0.934340D+00
      4  -0.206566D+02  0.894604D+01
      5   0.109466D+02 -0.538616D+01
      6   0.108835D+02 -0.605291D+01
 Leave Link  716 at Wed Sep  8 15:29:53 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.227811D+03 -0.108530D+01  0.493066D+00
      2  -0.108530D+01  0.138235D+03  0.513701D-01
      3   0.493066D+00  0.513701D-01  0.156697D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.768489D+01 -0.235361D+01  0.239149D+02
      2  -0.473579D+02  0.512613D+01  0.445803D+02
      3  -0.107590D+03 -0.320207D+02 -0.207776D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.249635D+03  0.384806D+02 -0.805601D+02
      2  -0.137566D+03 -0.532604D+01  0.354239D+02
      3  -0.112069D+03 -0.331546D+02  0.451362D+02
      4  -0.417657D+02  0.583677D+02  0.107246D+02
      5  -0.513449D+02  0.709146D+01  0.963340D+02
      6   0.705241D+01  0.127197D+02 -0.528639D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133086D+02  0.901449D+00  0.105382D+00  0.188821D+01  0.223849D+01
      2   0.901449D+00  0.173003D+01 -0.127288D+00  0.223849D+01 -0.181896D+01
      3   0.105382D+00 -0.127288D+00  0.380448D+01  0.866382D+00  0.351081D+01
                 6             7             8             9            10 
      1   0.866382D+00  0.161069D+02  0.661015D+00 -0.167194D+01  0.345365D+02
      2   0.351081D+01  0.661015D+00  0.162648D+01  0.388047D+00  0.107207D+01
      3  -0.405795D+00 -0.167194D+01  0.388047D+00  0.184338D+00 -0.160727D+01
                11            12            13            14            15 
      1   0.107207D+01 -0.160727D+01 -0.177706D+01  0.499237D+01  0.453671D+00
      2   0.162217D+01 -0.294546D+00  0.499237D+01 -0.990816D+00 -0.197208D+00
      3  -0.294546D+00  0.346951D+01  0.453671D+00 -0.197208D+00 -0.870428D+00
                16            17            18            19            20 
      1  -0.438867D+01  0.483307D+00  0.107418D+01  0.157610D+02 -0.779179D+00
      2   0.483307D+00 -0.506915D+00 -0.788168D+00 -0.779179D+00 -0.179408D+01
      3   0.107418D+01 -0.788168D+00  0.879546D+00 -0.281842D+00  0.113258D+01
                21            22            23            24            25 
      1  -0.281842D+00 -0.242035D+00 -0.234451D+01  0.600764D+00  0.140972D+02
      2   0.113258D+01 -0.234451D+01 -0.358983D+00  0.359067D+01 -0.115694D+01
      3  -0.308602D+01  0.600764D+00  0.359067D+01  0.510832D+00  0.153838D+01
                26            27            28            29            30 
      1  -0.115694D+01  0.153838D+01 -0.328895D+02  0.307499D-01  0.344435D+00
      2   0.247379D+01  0.140383D+00  0.307499D-01 -0.171721D+01 -0.653489D-02
      3   0.140383D+00  0.739536D+00  0.344435D+00 -0.653489D-02 -0.286216D+01
                31            32            33            34            35 
      1   0.266155D+01 -0.533757D+01 -0.469000D-01  0.155964D+01 -0.214017D+00
      2  -0.533757D+01  0.678617D+00 -0.951164D-01 -0.214017D+00 -0.821054D+00
      3  -0.469000D-01 -0.951164D-01  0.286772D+00 -0.723114D+00 -0.283981D+00
                36            37            38            39            40 
      1  -0.723114D+00  0.110144D+02 -0.430775D+00 -0.354026D+00  0.718752D+00
      2  -0.283981D+00 -0.430775D+00 -0.172883D+01 -0.854477D+00 -0.164022D+01
      3   0.101014D+01 -0.354026D+00 -0.854477D+00 -0.306613D+01 -0.465756D+00
                41            42            43            44            45 
      1  -0.164022D+01 -0.465756D+00 -0.159909D+02  0.735597D+00  0.444409D+00
      2   0.758220D+00 -0.304318D+01  0.735597D+00 -0.163997D+01 -0.147944D+00
      3  -0.304318D+01  0.439864D-01  0.444409D+00 -0.147944D+00 -0.108983D+01
                46            47            48            49            50 
      1  -0.124861D+02  0.242396D+00  0.416935D+00  0.207672D+01  0.142223D+01
      2   0.242396D+00  0.148451D+01  0.139981D+00  0.142223D+01 -0.500697D+00
      3   0.416935D+00  0.139981D+00  0.178473D+01 -0.764290D+00 -0.347766D+01
                51            52            53            54            55 
      1  -0.764290D+00 -0.126908D+02 -0.345434D+00 -0.646329D+00 -0.176731D+02
      2  -0.347766D+01 -0.345434D+00 -0.189211D+01  0.361378D-01 -0.209142D+01
      3  -0.812090D+00 -0.646329D+00  0.361378D-01 -0.929716D+00  0.620647D+00
                56            57            58            59            60 
      1  -0.209142D+01  0.620647D+00 -0.944520D+01 -0.760942D+01  0.516406D+00
      2  -0.311730D+01  0.331903D+00 -0.760942D+01  0.189438D+00  0.162881D+01
      3   0.331903D+00 -0.206486D+01  0.516406D+00  0.162881D+01  0.307124D+01
                61            62            63            64            65 
      1   0.584727D+01  0.593847D+00 -0.421523D+01  0.148111D+00  0.263060D+01
      2   0.593847D+00  0.234678D+01  0.428588D+01  0.263060D+01  0.385346D+01
      3  -0.421523D+01  0.428588D+01 -0.104376D+01  0.298852D+01 -0.936291D+00
                66            67            68            69            70 
      1   0.298852D+01  0.145067D+02  0.735354D+01 -0.215121D+01  0.344588D+00
      2  -0.936291D+00  0.735354D+01  0.111634D+01 -0.210538D+01 -0.128073D+01
      3   0.262124D+01 -0.215121D+01 -0.210538D+01 -0.372530D+01  0.411269D+01
                71            72            73            74            75 
      1  -0.128073D+01  0.411269D+01  0.526930D+01 -0.154691D+01 -0.253581D+01
      2  -0.268731D+01 -0.419096D+01 -0.154691D+01 -0.341813D+01  0.120328D+01
      3  -0.419096D+01  0.326831D+01 -0.253581D+01  0.120328D+01 -0.227595D+01
                76            77            78            79            80 
      1  -0.460049D+01 -0.615225D+01  0.163376D+01 -0.236705D+01  0.131087D+01
      2  -0.615225D+01 -0.219153D+01  0.331421D+01  0.131087D+01  0.293425D+01
      3   0.163376D+01  0.331421D+01  0.369756D+01 -0.413342D+01  0.396870D+01
                81            82            83            84            85 
      1  -0.413342D+01  0.578135D+01 -0.277153D+01 -0.210620D+01 -0.421722D+01
      2   0.396870D+01 -0.277153D+01 -0.337703D+01  0.887625D+00 -0.440397D+01
      3  -0.165884D-01 -0.210620D+01  0.887625D+00 -0.209417D+01  0.144751D+01
                86            87            88            89            90 
      1  -0.440397D+01  0.144751D+01 -0.138693D+01  0.122366D+01 -0.279440D+01
      2  -0.410833D+01  0.209981D+01  0.122366D+01  0.361259D+01  0.279955D+01
      3   0.209981D+01  0.321737D+01 -0.279440D+01  0.279955D+01 -0.322325D+01
                91            92            93            94            95 
      1   0.679199D+01  0.235233D+01 -0.203113D+00 -0.222134D+00  0.764219D+01
      2   0.235233D+01  0.303332D+01  0.857772D+00  0.764219D+01 -0.302009D+01
      3  -0.203113D+00  0.857772D+00  0.100585D+01  0.504309D+00  0.160909D+01
                96            97            98            99           100 
      1   0.504309D+00  0.447640D+01  0.560449D+00  0.155071D+01  0.283287D+01
      2   0.160909D+01  0.560449D+00  0.398877D+01 -0.319391D+00 -0.136355D+01
      3  -0.235654D+00  0.155071D+01 -0.319391D+00 -0.500250D+01  0.219577D+01
               101           102           103           104           105 
      1  -0.136355D+01  0.219577D+01 -0.106978D+01 -0.220247D+01 -0.321892D+00
      2  -0.421668D+00 -0.758491D+00 -0.220247D+01  0.457708D+01 -0.225547D+01
      3  -0.758491D+00  0.870900D+00 -0.321892D+00 -0.225547D+01 -0.780999D-01
               106           107           108           109           110 
      1   0.430940D+01 -0.219771D+01  0.253735D+01 -0.526164D+01  0.112998D+01
      2  -0.219771D+01 -0.399206D+00 -0.186066D+01  0.112998D+01 -0.950527D+00
      3   0.253735D+01 -0.186066D+01  0.463751D+01 -0.405109D+01  0.540439D+00
               111           112           113           114           115 
      1  -0.405109D+01  0.101446D+01 -0.123136D+01  0.702300D+00 -0.105970D+02
      2   0.540439D+00 -0.123136D+01  0.408008D-01 -0.159904D+01  0.312234D+01
      3  -0.213992D+01  0.702300D+00 -0.159904D+01  0.840775D+00 -0.475413D+01
               116           117           118           119           120 
      1   0.312234D+01 -0.475413D+01  0.759264D+00  0.428796D+00  0.125354D+01
      2  -0.388281D+01  0.181474D+01  0.428796D+00  0.229545D+01 -0.201304D+00
      3   0.181474D+01 -0.930714D+01  0.125354D+01 -0.201304D+00  0.116835D+00
               121           122           123           124           125 
      1   0.193802D+01  0.176217D+01 -0.610551D+00  0.411905D+01 -0.234772D+01
      2   0.176217D+01 -0.494642D+01  0.315191D+01 -0.234772D+01  0.590741D+01
      3  -0.610551D+00  0.315191D+01  0.182033D+00 -0.531473D+00  0.204297D+01
               126           127           128           129           130 
      1  -0.531473D+00  0.334755D+01 -0.414228D+00  0.277998D+01 -0.137037D+01
      2   0.204297D+01 -0.414228D+00  0.373258D+00 -0.545238D+00  0.232834D+00
      3   0.309230D+01  0.277998D+01 -0.545238D+00  0.287001D+01 -0.579650D+00
               131           132           133           134           135 
      1   0.232834D+00 -0.579650D+00  0.296834D+01 -0.514849D+00  0.350448D+01
      2  -0.193849D+00  0.187921D+00 -0.514849D+00  0.841140D+00 -0.105624D+01
      3   0.187921D+00 -0.666072D+00  0.350448D+01 -0.105624D+01  0.671738D+01
               136           137           138           139           140 
      1  -0.219847D+01 -0.969576D-01  0.234642D+01  0.158804D+00  0.681791D-01
      2  -0.969576D-01 -0.109950D+00  0.743879D-01  0.681791D-01 -0.433344D-01
      3   0.234642D+01  0.743879D-01 -0.260261D+01 -0.102875D+00  0.810446D-01
               141           142           143           144           145 
      1  -0.102875D+00  0.218322D+01  0.277149D+00 -0.319834D+01 -0.347429D+01
      2   0.810446D-01  0.277149D+00  0.738402D+00 -0.570706D+00  0.450297D+00
      3  -0.276942D+00 -0.319834D+01 -0.570706D+00  0.864373D+01 -0.207697D+01
               146           147           148           149           150 
      1   0.450297D+00 -0.207697D+01  0.796529D+00 -0.147172D+00  0.482298D+00
      2  -0.401747D+00  0.221963D+00 -0.147172D+00  0.161180D+00 -0.145909D+00
      3   0.221963D+00 -0.199356D+01  0.482298D+00 -0.145909D+00  0.521789D+00
               151           152           153           154           155 
      1  -0.264057D+01  0.256511D+00 -0.297472D+01  0.226683D+01  0.495455D-01
      2   0.256511D+00 -0.741621D+00  0.416114D+00  0.495455D-01  0.131689D+00
      3  -0.297472D+01  0.416114D+00 -0.559497D+01 -0.218802D+01  0.171819D+00
               156           157           158           159           160 
      1  -0.218802D+01 -0.296983D+00 -0.397528D-01  0.141649D+00 -0.248582D+01
      2   0.171819D+00 -0.397528D-01 -0.655184D-01 -0.102720D+00 -0.882404D-01
      3   0.229699D+01  0.141649D+00 -0.102720D+00  0.142030D+00  0.316504D+01
               161           162           163           164           165 
      1  -0.882404D-01  0.316504D+01  0.286542D+01 -0.116087D+01 -0.141967D+01
      2  -0.688815D+00 -0.170042D+00 -0.116087D+01  0.145108D+01  0.579544D+00
      3  -0.170042D+00 -0.796543D+01 -0.141967D+01  0.579544D+00  0.708226D+00
               166           167           168           169           170 
      1  -0.154211D+01  0.263012D+01  0.105457D+01 -0.685937D+01  0.109652D+01
      2   0.263012D+01 -0.425682D+01 -0.239151D+01  0.109652D+01 -0.336684D+01
      3   0.105457D+01 -0.239151D+01 -0.189332D+01  0.258245D+01 -0.274027D+01
               171           172           173           174           175 
      1   0.258245D+01  0.257748D+01 -0.920058D+00  0.167024D+01  0.432381D-02
      2  -0.274027D+01 -0.920058D+00  0.147005D+01 -0.732150D+00  0.166035D+01
      3  -0.303767D+01  0.167024D+01 -0.732150D+00  0.127273D+01 -0.594753D+00
               176           177           178           179           180 
      1   0.166035D+01 -0.594753D+00  0.469348D+01 -0.898372D+00  0.202091D+01
      2  -0.189617D+01  0.109976D+01 -0.898372D+00  0.205349D+01 -0.216725D+01
      3   0.109976D+01 -0.113349D+01  0.202091D+01 -0.216725D+01  0.350671D+01
               181           182           183           184           185 
      1  -0.187998D+01 -0.183375D+00 -0.164385D+01 -0.672615D+00 -0.952032D+00
      2  -0.183375D+00 -0.122139D+01  0.471311D+00 -0.952032D+00  0.139750D+01
      3  -0.164385D+01  0.471311D+00 -0.146942D+01  0.377264D+00 -0.108216D+01
               186           187           188           189           190 
      1   0.377264D+00 -0.286589D+01  0.235485D+00 -0.111791D+01  0.873001D+00
      2  -0.108216D+01  0.235485D+00 -0.141724D+01  0.188021D+01 -0.905509D+00
      3   0.209954D+01 -0.111791D+01  0.188021D+01 -0.537408D+01 -0.956489D+00
               191           192           193           194           195 
      1  -0.905509D+00 -0.956489D+00 -0.244032D+01  0.200917D+01  0.139608D+01
      2   0.753848D+00  0.402929D+00  0.200917D+01 -0.294454D+01 -0.259227D+01
      3   0.402929D+00  0.103781D+01  0.139608D+01 -0.259227D+01 -0.302061D+01
               196           197           198           199           200 
      1  -0.267025D+01  0.102224D+01  0.277018D+01  0.356917D+01 -0.804965D+00
      2   0.102224D+01 -0.265726D+01 -0.272328D+01 -0.804965D+00  0.108454D+01
      3   0.277018D+01 -0.272328D+01 -0.485559D+01  0.181406D+01 -0.611380D+00
               201           202           203           204           205 
      1   0.181406D+01 -0.175109D+01  0.178033D+01 -0.818660D+00  0.494346D+01
      2  -0.611380D+00  0.178033D+01 -0.111018D+01  0.646575D+00 -0.108996D+01
      3   0.168277D+01 -0.818660D+00  0.646575D+00 -0.145365D+01  0.276721D+01
               206           207           208           209           210 
      1  -0.108996D+01  0.276721D+01  0.427416D+01  0.274643D+01 -0.966022D+00
      2   0.126717D+01 -0.141369D+01  0.274643D+01  0.236521D+01 -0.797563D+00
      3  -0.141369D+01  0.365961D+01 -0.966022D+00 -0.797563D+00  0.898735D+00
               211           212           213           214           215 
      1   0.672294D+01  0.463537D+01 -0.178786D+01 -0.138279D+01 -0.105917D+01
      2   0.463537D+01  0.551675D+01 -0.167445D+01 -0.105917D+01 -0.138985D+01
      3  -0.178786D+01 -0.167445D+01  0.124030D+01  0.181390D+01  0.764886D+00
               216           217           218           219           220 
      1   0.181390D+01  0.134300D+01  0.210202D+00  0.181549D+01 -0.627210D+00
      2   0.764886D+00  0.210202D+00  0.102380D+01 -0.212197D-01  0.621705D+00
      3  -0.114766D+01  0.181549D+01 -0.212197D-01  0.231880D+01 -0.658089D+00
               221           222           223           224           225 
      1   0.621705D+00 -0.658089D+00  0.230149D+01  0.421004D-01  0.226206D+01
      2  -0.250185D+00  0.604353D+00  0.421004D-01  0.112814D+01 -0.140688D+00
      3   0.604353D+00 -0.184423D+01  0.226206D+01 -0.140688D+00  0.629203D+01
               226           227           228           229           230 
      1  -0.862904D+01  0.613839D+00  0.115273D+01  0.212537D+00 -0.116426D+01
      2   0.613839D+00 -0.206988D+01 -0.854426D+00 -0.116426D+01  0.123395D+01
      3   0.115273D+01 -0.854426D+00 -0.104105D+01 -0.522143D+00  0.656912D-01
               231           232           233           234           235 
      1  -0.522143D+00  0.111045D+01 -0.337861D+00 -0.442514D+00  0.232637D+01
      2   0.656912D-01 -0.337861D+00 -0.608780D-01  0.223502D+00  0.282379D+01
      3   0.100747D+00 -0.442514D+00  0.223502D+00  0.101225D+01  0.145531D+00
               236           237           238           239           240 
      1   0.282379D+01  0.145531D+00  0.290559D+01  0.405715D+01 -0.687701D-01
      2   0.336027D+01  0.847266D-01  0.405715D+01  0.880739D+01 -0.118111D+00
      3   0.847266D-01  0.773062D+00 -0.687701D-01 -0.118111D+00  0.737608D+00
               241           242           243           244           245 
      1  -0.103211D+01 -0.846537D+00  0.831760D+00  0.273119D+00 -0.463495D+00
      2  -0.846537D+00 -0.188596D+01  0.712700D+00 -0.463495D+00 -0.529699D+00
      3   0.831760D+00  0.712700D+00 -0.167940D+00  0.165176D+01 -0.108956D+00
               246           247           248           249           250 
      1   0.165176D+01 -0.474679D+00 -0.102739D+01 -0.103159D+00  0.298571D+01
      2  -0.108956D+00 -0.102739D+01  0.240887D+00  0.769498D+00 -0.923519D-02
      3  -0.124838D+01 -0.103159D+00  0.769498D+00 -0.941027D-02 -0.210930D+01
               251           252           253           254           255 
      1  -0.923519D-02 -0.210930D+01  0.949130D+01 -0.529698D+00 -0.133221D+01
      2   0.115769D+01 -0.950225D-03 -0.529698D+00 -0.410591D+01 -0.100701D+00
      3  -0.950225D-03  0.648670D+01 -0.133221D+01 -0.100701D+00 -0.113807D+01
               256           257           258           259           260 
      1  -0.722775D+01 -0.482381D+01 -0.723373D+00 -0.500340D+01 -0.951699D+00
      2  -0.482381D+01  0.170575D+01 -0.263736D+01 -0.951699D+00 -0.387034D+01
      3  -0.723373D+00 -0.263736D+01  0.327831D+00 -0.133030D+01  0.121528D+01
               261           262           263           264           265 
      1  -0.133030D+01 -0.118680D+01  0.175853D+01  0.985895D-01  0.164187D+01
      2   0.121528D+01  0.175853D+01 -0.241771D+01  0.119759D-01 -0.324971D+01
      3   0.403329D+01  0.985895D-01  0.119759D-01 -0.312224D+00  0.127129D+00
               266           267           268           269           270 
      1  -0.324971D+01  0.127129D+00 -0.816857D+00  0.150578D+01 -0.485204D+00
      2   0.104975D+02 -0.251203D+00  0.150578D+01 -0.416505D+01  0.122478D+01
      3  -0.251203D+00  0.132619D+01 -0.485204D+00  0.122478D+01 -0.338881D+00
               271           272           273           274           275 
      1  -0.435765D+00  0.947301D-01 -0.591827D+00  0.607766D+00  0.233641D+00
      2   0.947301D-01  0.640185D+00  0.179753D+00  0.233641D+00 -0.555670D+00
      3  -0.591827D+00  0.179753D+00  0.360937D+00 -0.358389D-01 -0.572859D+00
               276           277           278           279           280 
      1  -0.358389D-01 -0.222077D+01 -0.592556D+00 -0.505013D+00 -0.165800D+02
      2  -0.572859D+00 -0.592556D+00 -0.180198D+01 -0.144561D+01 -0.235163D+01
      3  -0.726190D+00 -0.505013D+00 -0.144561D+01 -0.585877D+01  0.408118D+00
               281           282           283           284           285 
      1  -0.235163D+01  0.408118D+00  0.121371D+01 -0.973934D+00  0.652549D-01
      2  -0.157056D+01 -0.612003D-01 -0.973934D+00 -0.279075D+00  0.286080D+00
      3  -0.612003D-01 -0.939807D+00  0.652549D-01  0.286080D+00  0.967703D-01
               286           287           288           289           290 
      1   0.195250D+01  0.430853D+00 -0.131748D+01 -0.989606D-01 -0.721573D+00
      2   0.430853D+00  0.639518D+00 -0.321029D+00 -0.721573D+00  0.227875D+01
      3  -0.131748D+01 -0.321029D+00 -0.138668D-01  0.506274D+00 -0.280222D+00
               291           292           293           294           295 
      1   0.506274D+00 -0.109139D+01 -0.400160D-01 -0.135791D-01  0.140022D+01
      2  -0.280222D+00 -0.400160D-01 -0.739026D+01  0.169537D+01  0.373312D+00
      3   0.440705D+00 -0.135791D-01  0.169537D+01 -0.129208D+01 -0.248741D-01
               296           297 
      1   0.373312D+00 -0.248741D-01
      2   0.315961D+01 -0.157303D+01
      3  -0.157303D+01  0.804249D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.338779D+01  0.299070D+01  0.234208D+01  0.977076D+01  0.176259D+01
      2   0.566734D+01 -0.168586D+01  0.366990D+01 -0.212219D+01 -0.114933D+01
      3   0.166073D+02 -0.247932D+01 -0.906479D+00  0.108726D+02 -0.282064D-01
                 6             7             8             9            10 
      1  -0.216259D+01 -0.149994D+01  0.319551D+01  0.372068D+00 -0.508819D+01
      2  -0.416790D+00 -0.916335D+01  0.254063D+00 -0.328588D+00 -0.176309D+02
      3  -0.486897D+01 -0.158370D+02 -0.247060D+01  0.139135D+01 -0.331710D+02
                11            12            13            14            15 
      1  -0.788365D+00  0.183779D+01  0.170834D+01  0.419631D+00 -0.105742D+02
      2   0.278439D+00 -0.325074D+01  0.237049D+01 -0.193672D+01 -0.198723D+00
      3   0.283601D+00  0.438397D+00  0.119489D+02 -0.204959D+01  0.681073D-02
                16            17            18            19            20 
      1  -0.324723D+01 -0.373255D+01 -0.783157D+00 -0.391813D+01 -0.150937D+01
      2  -0.272446D+02 -0.324479D+01 -0.325231D+01 -0.722633D+01  0.202924D+00
      3   0.376720D+01  0.538479D+00 -0.741502D+00 -0.160480D+02  0.855221D+00
                21            22            23            24            25 
      1  -0.135972D+01 -0.594902D+01  0.249115D+01  0.682919D+00 -0.243706D+00
      2   0.780809D+01 -0.244044D+01  0.111414D+01 -0.114096D+01 -0.113028D+02
      3  -0.740189D-01  0.100352D+02  0.124243D+01  0.304927D+01 -0.143885D+02
                26            27            28            29            30 
      1   0.402866D+01  0.110498D+01  0.233992D+01 -0.433413D+00 -0.295001D+01
      2   0.767208D+00  0.170916D+01  0.137448D+02  0.105138D+01 -0.455447D+01
      3   0.520436D+01 -0.221322D+01  0.311183D+02 -0.110590D+01 -0.880124D+00
                31            32            33            34            35 
      1  -0.353013D+01  0.146698D+01 -0.103273D+02 -0.509102D+01 -0.247534D+01
      2  -0.101814D+00  0.280023D+01  0.115889D+01 -0.305115D+02  0.201412D+01
      3   0.874632D+01  0.446158D+01 -0.287704D+00 -0.703978D+00 -0.448000D+01
                36            37            38            39            40 
      1  -0.127037D+00 -0.169929D+01  0.137782D+01 -0.153069D+01  0.725154D+01
      2  -0.267705D+00 -0.130649D+02 -0.126293D+01  0.565035D+01 -0.627100D+00
      3   0.404912D+01 -0.123565D+02 -0.238628D+00  0.122437D+01  0.134887D+02
                41            42            43            44            45 
      1  -0.264485D+01 -0.290961D+01  0.381311D+01  0.180501D+01 -0.127880D+01
      2  -0.160579D+01  0.437551D+00  0.705379D+01 -0.230438D+00 -0.367521D+01
      3   0.160135D+00 -0.366330D+01  0.166014D+02 -0.265503D+01 -0.195315D+01
                46            47            48            49            50 
      1   0.352075D+01 -0.173024D+01  0.180938D+01 -0.715039D+01 -0.173410D+01
      2   0.146828D+02  0.414319D+00  0.103454D+02 -0.150448D+01  0.743253D+00
      3   0.171557D+02 -0.121009D+01  0.120028D+01  0.128830D+02 -0.715349D+00
                51            52            53            54            55 
      1  -0.235590D+01  0.160965D+01  0.320922D+01 -0.324672D+00  0.428202D+01
      2  -0.207550D+01  0.469361D+01 -0.764624D-01  0.563338D+01  0.336027D+01
      3   0.362474D+01  0.137267D+02  0.111668D+01  0.133080D+01  0.180445D+02
                56            57            58            59            60 
      1   0.192107D+01 -0.105039D+01  0.564540D+01  0.443054D+01  0.202383D+01
      2  -0.641880D-01 -0.405826D+01  0.145470D+01  0.631695D+01  0.143189D+02
      3   0.820627D+01 -0.760338D+00  0.405742D+02  0.786245D+01 -0.543442D+01
                61            62            63            64            65 
      1  -0.178029D+01  0.696706D+01 -0.171297D+01 -0.518177D+01 -0.109248D+01
      2  -0.253006D+02  0.158927D+02 -0.630636D+01  0.913839D+01 -0.308961D+01
      3  -0.905418D+01 -0.738414D+01 -0.104232D+02 -0.193172D+02 -0.197416D+02
                66            67            68            69            70 
      1  -0.154640D+01 -0.303112D+01 -0.787854D+00  0.324236D+00  0.197407D+01
      2   0.153248D+02 -0.871901D+01 -0.722722D+01 -0.193528D+02  0.137844D+02
      3   0.540512D+01 -0.339249D+02 -0.558223D+01  0.671487D+01  0.109280D+02
                71            72            73            74            75 
      1   0.731281D+01 -0.724340D+00  0.163390D+01  0.215360D+01 -0.481025D+00
      2  -0.184608D+02  0.171736D+02 -0.933501D+01  0.546138D+01 -0.139006D+02
      3   0.997231D+01  0.178462D+02  0.893398D+01  0.177235D+02 -0.706935D+01
                76            77            78            79            80 
      1   0.415768D+01  0.791466D+00 -0.519558D+01  0.293883D-01 -0.183280D+01
      2   0.676494D+01  0.145554D+02  0.237641D+02 -0.302736D+02  0.233410D+02
      3   0.394173D+02  0.110525D+02 -0.189286D+02 -0.713562D+01 -0.164139D+02
                81            82            83            84            85 
      1  -0.255278D+01  0.354343D+01 -0.483552D+01  0.498645D+01 -0.670029D+01
      2  -0.141785D+01 -0.155799D+02  0.699433D+01 -0.258038D+01  0.901272D+01
      3  -0.226185D+02  0.238787D+02  0.515256D+01 -0.825893D+01  0.142292D+02
                86            87            88            89            90 
      1  -0.105353D+02 -0.711373D+01  0.645289D+01 -0.743150D+00  0.929880D+01
      2   0.106880D+02  0.105943D+02 -0.922074D+01  0.910565D+01 -0.105811D+02
      3   0.853933D+01 -0.595270D+01 -0.931184D+01 -0.109040D+02 -0.135823D+02
                91            92            93            94            95 
      1   0.281095D+00  0.111631D+01  0.218060D+01  0.201655D+01 -0.862877D+00
      2  -0.638554D+01 -0.355232D+01  0.745343D+00  0.167757D+01 -0.101171D+02
      3  -0.347858D+01  0.474133D+01  0.301557D+01  0.388049D+02 -0.151560D+02
                96            97            98            99           100 
      1  -0.324323D+01  0.244043D+01  0.535183D+01 -0.186315D+01 -0.589604D+00
      2   0.222402D+00 -0.176601D+02  0.210675D+01  0.179904D+02  0.628544D+01
      3   0.608814D+01 -0.299300D+01  0.122282D+02 -0.254710D+01  0.142093D+02
               101           102           103           104           105 
      1  -0.674099D+01 -0.387856D+01 -0.115029D+01  0.189646D+00  0.163138D+01
      2   0.240233D+00  0.384131D+01 -0.292495D+01  0.100787D+02  0.603942D+01
      3  -0.172182D+02 -0.216240D+01 -0.107609D+02  0.864940D+01 -0.498412D+01
               106           107           108           109           110 
      1  -0.734106D+01 -0.207460D+01 -0.467551D+01  0.425046D+01  0.380662D+01
      2  -0.797746D+01  0.747866D+01 -0.249297D+02  0.830897D+01 -0.122398D+01
      3  -0.970824D+01  0.833725D+01 -0.529466D+01 -0.360646D+01 -0.331481D+01
               111           112           113           114           115 
      1   0.305683D+01  0.641436D+00  0.341945D+00 -0.381898D+01  0.417100D+01
      2   0.880443D+01  0.528196D+00  0.527133D+01 -0.524586D+01  0.919077D+01
      3  -0.625012D+00 -0.146562D+01  0.224984D+01 -0.584256D+01  0.149412D+02
               116           117           118           119           120 
      1   0.895415D+01  0.112878D+02 -0.379728D+01  0.229343D+01 -0.444847D+00
      2  -0.542029D+01  0.370582D+02 -0.597554D+01  0.145322D+01  0.120338D+01
      3  -0.191701D+02  0.551181D+01 -0.463329D+00  0.815748D+01  0.167470D+01
               121           122           123           124           125 
      1  -0.191931D+00 -0.409106D+01 -0.368373D+01 -0.218697D+01  0.652200D+01
      2  -0.106754D+01 -0.112144D+02 -0.171697D+01 -0.150459D+01 -0.603067D+01
      3   0.732001D+01 -0.120765D+02  0.991378D+01 -0.544043D+01  0.179140D+02
               126           127           128           129           130 
      1  -0.824875D+01  0.225360D+01  0.191347D+01  0.202653D+01 -0.939184D+00
      2  -0.103906D+02 -0.600597D+01 -0.105940D+00 -0.956672D+00  0.178196D+01
      3   0.694556D+01 -0.314312D+01 -0.149303D+01 -0.194284D+01  0.304978D+01
               131           132           133           134           135 
      1  -0.718647D-01 -0.214724D+01  0.275791D+01  0.281862D+01  0.488874D+01
      2  -0.185652D+00 -0.194195D+00 -0.417478D+01 -0.472967D-01  0.131049D+01
      3   0.120628D+00  0.277372D+00 -0.286891D+01 -0.187674D+01 -0.212732D+01
               136           137           138           139           140 
      1   0.181870D+01 -0.156084D+01 -0.201281D+01  0.452383D+00  0.120721D+00
      2   0.489366D+01  0.345068D-01 -0.136533D+01 -0.489493D+00 -0.136600D+00
      3   0.146986D+01 -0.684691D+00 -0.164737D+01  0.117869D+01  0.345133D-01
               141           142           143           144           145 
      1  -0.207835D+01 -0.202624D+01  0.376624D+01  0.537645D+01 -0.234104D+01
      2   0.493476D+00 -0.477062D+01 -0.252090D+00 -0.992992D+00 -0.767865D+01
      3  -0.168719D-01 -0.138374D+01  0.164186D+01  0.202907D+01  0.240935D+01
               146           147           148           149           150 
      1   0.251926D+01 -0.145968D+01  0.408476D+00 -0.453288D+00 -0.120490D+01
      2   0.954608D+00 -0.119596D+01  0.737408D+00 -0.377030D-01  0.302473D+00
      3  -0.144841D+01  0.147653D+01  0.324734D+00  0.565082D+00 -0.246124D+00
               151           152           153           154           155 
      1  -0.213298D+01  0.351664D+01 -0.344717D+01 -0.213475D+01 -0.149186D+01
      2  -0.440530D+01  0.307255D+00  0.114239D+01  0.495199D+01  0.425376D+00
      3   0.158043D+01 -0.236539D+01  0.203899D+01 -0.133995D+01 -0.808126D+00
               156           157           158           159           160 
      1   0.137924D+01  0.296655D+00 -0.109907D+00 -0.191148D+01  0.278631D+01
      2  -0.900098D+00 -0.198524D+00 -0.312633D+00 -0.138733D+00 -0.454902D+01
      3   0.127998D+01  0.173895D+01  0.235026D+00 -0.115001D-01  0.205610D+01
               161           162           163           164           165 
      1   0.377173D+01 -0.544027D+01 -0.967596D+00 -0.849834D-01  0.135157D+01
      2  -0.337189D+00 -0.238812D+01 -0.531963D+01  0.171947D+01  0.436968D+01
      3   0.195432D+01 -0.186416D+01 -0.343479D+00 -0.480466D+01 -0.240402D+00
               166           167           168           169           170 
      1   0.533715D+00 -0.127276D+01 -0.364019D+01  0.280978D+01 -0.100532D+01
      2   0.292083D+01 -0.851400D+01 -0.741962D+01  0.688686D+01 -0.102880D+02
      3  -0.405550D+01  0.104922D+02  0.548457D+01  0.417285D+01  0.998224D+01
               171           172           173           174           175 
      1  -0.398949D+01  0.165662D+01 -0.238761D+00  0.192503D+01 -0.146772D+01
      2  -0.992553D+01  0.655937D+01 -0.269276D+01  0.641371D+01 -0.173141D+01
      3   0.562212D+01 -0.126528D+00 -0.527455D+01  0.788894D+00 -0.250987D+01
               176           177           178           179           180 
      1   0.824157D+00 -0.319497D+01  0.196886D+01 -0.516496D+00  0.517486D+01
      2   0.322245D+01 -0.458597D+01  0.303797D+01 -0.783240D+01  0.131325D+02
      3   0.416725D+01 -0.215476D+01 -0.262412D+01 -0.630842D+01  0.432634D+01
               181           182           183           184           185 
      1   0.290513D+01  0.158923D+01  0.145071D+01  0.601693D+00 -0.548899D+00
      2  -0.108200D+02  0.152327D+01 -0.671948D+01  0.140446D+01 -0.497544D+01
      3  -0.215614D+01  0.362746D+01 -0.286222D+01  0.604584D+01 -0.545428D+01
               186           187           188           189           190 
      1  -0.221013D+01  0.158225D+01  0.179753D+01  0.311600D+01  0.123502D+01
      2   0.797731D+01 -0.106976D+02  0.727305D+01 -0.219111D+02 -0.475760D+01
      3   0.444684D+01 -0.358195D+01  0.506470D+01 -0.882918D+01  0.491436D+01
               191           192           193           194           195 
      1  -0.101858D+01 -0.279800D+00 -0.157798D+01  0.405847D+01  0.103450D+01
      2   0.160277D+01  0.579436D+01  0.412544D+01 -0.126783D+02 -0.165616D+02
      3  -0.516871D+01 -0.264864D+01 -0.835316D+01  0.165408D+02  0.138618D+02
               196           197           198           199           200 
      1  -0.122592D+01  0.492691D+01  0.221650D+01  0.151605D+00 -0.791426D-02
      2   0.102637D+02 -0.145171D+02 -0.246424D+02  0.124654D+02 -0.411496D+01
      3  -0.472191D+01  0.153260D+02  0.149471D+02  0.493521D+01 -0.745330D+01
               201           202           203           204           205 
      1   0.583258D+00 -0.763032D+00 -0.898117D-01 -0.119414D+01 -0.675252D-01
      2   0.123991D+02 -0.521995D+01  0.468587D+01 -0.962087D+01  0.154205D+02
      3   0.371493D+01 -0.793921D+01  0.657146D+01 -0.352392D+01  0.593573D+01
               206           207           208           209           210 
      1   0.161853D+01  0.777325D+00 -0.195563D+01 -0.203824D+01 -0.584967D+00
      2  -0.871985D+01  0.235558D+02 -0.175164D+01 -0.235878D+01  0.649890D+01
      3  -0.826794D+01  0.813763D+01 -0.129087D+02 -0.147195D+02  0.435151D+01
               211           212           213           214           215 
      1  -0.249092D+01 -0.445908D+01 -0.143873D+01 -0.270439D-01  0.183492D+01
      2  -0.470840D+01 -0.604814D+01  0.683285D+01  0.769168D+01  0.306780D+01
      3  -0.210279D+02 -0.309951D+02  0.871510D+01  0.523270D+01  0.801547D+01
               216           217           218           219           220 
      1   0.398799D+00 -0.368724D+01  0.187704D+01 -0.447329D+01  0.160308D+01
      2  -0.513361D+01  0.515504D+01  0.170365D+00  0.800836D+01 -0.822327D+00
      3  -0.351367D+01  0.365657D+00 -0.459453D+01  0.233511D+01 -0.192356D+01
               221           222           223           224           225 
      1  -0.220912D+01  0.296786D+01 -0.439204D+01  0.463225D+01 -0.122878D+02
      2   0.166803D+01 -0.710439D+01  0.250005D+01 -0.613667D+00  0.209867D+02
      3   0.237012D+01 -0.271740D+01  0.320316D+01 -0.518606D+01  0.331358D+01
               226           227           228           229           230 
      1  -0.383222D+01 -0.108446D+01  0.228175D+01 -0.486353D+00  0.398887D+00
      2   0.152227D+02 -0.300462D+01 -0.328213D+01 -0.169872D+01  0.159448D+01
      3  -0.225968D+02  0.583917D+01  0.526752D+01  0.604888D+01 -0.500004D+01
               231           232           233           234           235 
      1  -0.493547D+00  0.261374D+01  0.150508D+01 -0.164419D+01  0.181141D+01
      2  -0.145792D+00 -0.590439D+01  0.437357D+00  0.328006D+01 -0.112824D+01
      3  -0.111114D+01  0.394631D+01  0.577118D-01 -0.196114D+01 -0.639098D+01
               236           237           238           239           240 
      1   0.300517D+01 -0.297247D+01  0.463849D+01  0.776186D+01 -0.450995D+01
      2  -0.161329D+01  0.399342D+01 -0.315642D+01 -0.370924D+01  0.401106D+01
      3  -0.998916D+01 -0.290814D+00 -0.614877D+01 -0.273989D+02 -0.532133D-01
               241           242           243           244           245 
      1  -0.220691D+01 -0.156095D+01  0.130818D+01  0.409658D+00 -0.611903D+00
      2   0.262231D+01  0.282723D+01 -0.959116D+00 -0.663079D+01  0.576886D+00
      3   0.188437D+01  0.628933D+01 -0.130449D+01 -0.110286D+01 -0.231760D+01
               246           247           248           249           250 
      1  -0.806960D+00 -0.340554D+00  0.580548D+00 -0.382190D+00 -0.125047D+01
      2   0.414165D+01  0.172739D+00 -0.147075D+01  0.344659D-01  0.143051D+01
      3  -0.106503D+01 -0.133738D+01  0.990044D+00  0.206881D+01 -0.103050D+01
               251           252           253           254           255 
      1   0.341705D+01  0.257819D+01 -0.168393D+01  0.565097D+00 -0.308263D+01
      2  -0.155706D+00 -0.205018D+02  0.101314D+02  0.148006D+01  0.737889D+01
      3   0.315635D+01  0.163317D+01 -0.211963D+02 -0.178560D+02  0.182292D+01
               256           257           258           259           260 
      1  -0.156093D+01 -0.618609D+01  0.685184D+00 -0.721867D+00  0.585662D+01
      2   0.512173D+01  0.112263D+02 -0.323671D+01  0.530132D+01 -0.540396D+01
      3  -0.946781D+01  0.142611D+02 -0.991113D+01  0.106119D+01 -0.132050D+02
               261           262           263           264           265 
      1   0.858179D+01  0.764137D+00 -0.963753D+00  0.118747D+01 -0.252258D+01
      2  -0.193283D+02  0.500401D-01 -0.573989D+00  0.941358D+00 -0.836179D+00
      3   0.632454D+01  0.354441D+01 -0.557597D+01 -0.675734D+00 -0.559770D+01
               266           267           268           269           270 
      1   0.715853D+01 -0.436975D+01  0.112431D+01 -0.261554D+01  0.257492D+01
      2   0.249327D+01 -0.474127D+01  0.115624D+01 -0.437394D+01  0.173001D+01
      3   0.324320D+02 -0.437502D+00  0.343184D+01 -0.137089D+02  0.369389D+01
               271           272           273           274           275 
      1  -0.178742D+01 -0.511919D+00  0.934829D+00 -0.256540D+00 -0.156090D+01
      2   0.469916D+01 -0.373183D+00 -0.216545D+01  0.101959D+01  0.236173D+01
      3   0.664840D-01  0.163590D+01  0.149713D+01  0.104269D+01 -0.224983D+01
               276           277           278           279           280 
      1  -0.182696D+01  0.206622D+00  0.824974D+00 -0.120277D+02  0.852580D+00
      2   0.272469D+01 -0.250770D+01  0.526665D+01  0.242367D+02 -0.340623D+01
      3  -0.188448D+01  0.188043D+01 -0.555250D+01 -0.488777D+01  0.172146D+02
               281           282           283           284           285 
      1   0.596330D-01 -0.234229D+01  0.359346D+00  0.720992D+00 -0.468396D+00
      2   0.291320D+00  0.761257D+01 -0.771494D+00 -0.130591D+01  0.281341D+00
      3  -0.646059D+01 -0.123534D+01 -0.425949D+01  0.441078D+00  0.114380D+01
               286           287           288           289           290 
      1  -0.226476D+01  0.236156D+00 -0.314814D+00  0.156626D+01 -0.444862D+00
      2   0.424515D+01  0.102622D+01  0.483488D+00 -0.237121D+01  0.867484D+00
      3  -0.141674D+01  0.212433D+01  0.689758D+00 -0.457725D+01  0.861577D+01
               291           292           293           294           295 
      1   0.192304D+01 -0.225245D+00  0.407372D+01 -0.524406D+01  0.820933D+00
      2  -0.166552D+01  0.476529D-01 -0.619520D+01  0.470351D+01 -0.201794D+01
      3  -0.217310D+01  0.492964D+01 -0.272735D+02  0.688360D+01 -0.214884D+01
               296           297 
      1  -0.219372D+01  0.241238D+01
      2   0.537951D+01 -0.273957D+01
      3   0.110252D+02 -0.596961D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.534027D+01  0.320366D+01 -0.265251D+02  0.864496D+01 -0.129606D+02
      2   0.532783D+01 -0.432235D+01  0.798481D+01 -0.783394D+01  0.133553D+02
      3   0.124378D-01  0.111870D+01  0.185403D+02 -0.811013D+00 -0.394716D+00
      4   0.595688D+01  0.424850D+01  0.374118D+01  0.117477D+02 -0.306966D+01
      5  -0.105408D+02  0.367246D+01 -0.704268D+01  0.422398D+01  0.607357D+01
      6   0.299076D+01  0.593327D+01 -0.381348D+01  0.394182D+01 -0.105042D+02
                 6             7             8             9            10 
      1   0.105726D+02  0.399973D+02  0.440657D+01  0.533890D+01  0.541858D+02
      2  -0.118206D+02 -0.455424D+01 -0.703207D+01  0.411804D+01 -0.237187D+02
      3   0.124799D+01 -0.354431D+02  0.262550D+01 -0.945694D+01 -0.304671D+02
      4   0.548665D+01 -0.302915D+01  0.537389D+01  0.293281D+01 -0.134511D+02
      5   0.265347D+01 -0.104514D+01  0.201882D+01 -0.946918D+01 -0.123827D+02
      6   0.141276D+02  0.565588D+01  0.528532D+01  0.282634D+01  0.718480D+01
                11            12            13            14            15 
      1   0.737760D+01 -0.523131D+01  0.777039D+01  0.101076D+01  0.392459D+00
      2  -0.623760D+01  0.129233D+01 -0.127359D+02  0.899974D+01  0.123405D+01
      3  -0.114000D+01  0.393898D+01  0.496546D+01 -0.100105D+02 -0.162651D+01
      4  -0.139424D+01  0.355069D+00  0.220812D+02 -0.552150D+01 -0.100024D+01
      5  -0.563889D+00  0.106053D+02  0.444167D+01 -0.161140D+00 -0.332154D+01
      6   0.145003D+01 -0.844357D+01  0.115585D+01  0.191310D+01  0.659049D+01
                16            17            18            19            20 
      1  -0.934091D+01 -0.226500D+01 -0.168706D+02  0.438425D+01 -0.634985D+01
      2  -0.113176D+01  0.400091D+01 -0.221389D+01 -0.164019D+00  0.567936D+01
      3   0.104727D+02 -0.173591D+01  0.190845D+02 -0.422023D+01  0.670488D+00
      4   0.587678D+00 -0.160761D+01 -0.373914D+01 -0.436021D+01 -0.108614D+01
      5  -0.143166D+02 -0.362035D+01  0.569930D+00  0.920133D+01 -0.937799D-01
      6  -0.193880D+01 -0.401576D+01 -0.149503D+01 -0.182357D+01 -0.704325D+01
                21            22            23            24            25 
      1   0.256187D+02 -0.445567D+00 -0.111371D+02 -0.917083D+00 -0.257446D+02
      2  -0.117577D+02  0.196684D+01  0.844628D+01 -0.705235D+01 -0.285696D+01
      3  -0.138610D+02 -0.152127D+01  0.269087D+01  0.796943D+01  0.286016D+02
      4   0.131180D+01  0.157320D+02  0.335783D+01 -0.513296D+01 -0.488567D+01
      5  -0.125506D+02 -0.447922D+01 -0.441863D+01  0.206608D+01  0.486532D+01
      6   0.868372D+01 -0.397969D+01 -0.635181D+01  0.157747D+02 -0.273464D+01
                26            27            28            29            30 
      1   0.164679D+01  0.850443D+01  0.253032D+02 -0.162014D+01  0.369993D+01
      2  -0.394108D+01  0.625636D+01 -0.339542D+01  0.566177D+01  0.194035D+01
      3   0.229429D+01 -0.147608D+02 -0.219077D+02 -0.404163D+01 -0.564028D+01
      4  -0.829996D+01 -0.367733D+00  0.249864D+02  0.279768D+01 -0.150366D+00
      5  -0.340751D+00  0.101722D+02  0.184530D+01 -0.329678D+00  0.867369D+01
      6   0.779010D+01  0.609768D+00 -0.891370D+00 -0.268970D+01  0.433584D+01
                31            32            33            34            35 
      1  -0.172558D+01  0.179133D+01  0.114119D+01 -0.234660D+01  0.388729D+01
      2   0.456257D+01  0.674736D+01 -0.800422D+00 -0.641625D+00  0.328849D+00
      3  -0.283699D+01 -0.853870D+01 -0.340765D+00  0.298823D+01 -0.421614D+01
      4   0.200851D+02  0.191507D+01  0.198846D+01  0.643003D+00  0.687926D+01
      5   0.313793D+00  0.130748D+01 -0.201907D+00 -0.195185D+02 -0.309098D+00
      6  -0.345621D+01  0.874125D+00  0.349959D+01  0.138928D+01 -0.471480D+01
                36            37            38            39            40 
      1  -0.213023D+02  0.132518D+01 -0.182614D+01 -0.266007D+02 -0.370538D+01
      2  -0.809343D+00 -0.119654D+01  0.281426D+01  0.106000D+02  0.153698D+01
      3   0.221116D+02 -0.128633D+00 -0.988116D+00  0.160007D+02  0.216840D+01
      4  -0.293892D+01 -0.244362D+01  0.134455D+01  0.887636D+00  0.545720D+01
      5  -0.121163D+01 -0.201748D+02  0.165972D+01 -0.219555D+01  0.260179D+01
      6  -0.384932D+01  0.488562D+01  0.625600D+01  0.569989D+01  0.645353D+01
                41            42            43            44            45 
      1  -0.906291D+01 -0.135805D+01  0.283241D+02 -0.446429D+01  0.106801D+02
      2   0.938569D+01  0.278723D+01  0.221600D+01  0.179350D+01  0.133967D+01
      3  -0.322779D+00 -0.142918D+01 -0.305401D+02  0.267079D+01 -0.120197D+02
      4   0.195476D+01  0.668520D+01  0.688030D+01  0.667291D+01  0.233134D+01
      5   0.410786D+01  0.221756D+01  0.134827D+02  0.702542D+00 -0.882866D+01
      6   0.342087D+01  0.969414D+01  0.272122D+00  0.524561D+01  0.516933D+01
                46            47            48            49            50 
      1  -0.289337D+01 -0.177630D+01  0.229921D+02  0.609953D+01 -0.115638D+02
      2   0.707941D+01 -0.489380D+00 -0.894237D+01 -0.288807D+01  0.106348D+02
      3  -0.418604D+01  0.226568D+01 -0.140497D+02 -0.321146D+01  0.928982D+00
      4   0.391839D+01  0.167585D+01 -0.225084D+01  0.353357D+01  0.209071D+00
      5   0.223184D+02 -0.165652D+01 -0.696380D+01 -0.651351D+01 -0.357626D+01
      6  -0.444505D+01 -0.385373D+01 -0.948969D+00 -0.332161D+01  0.775962D+01
                51            52            53            54            55 
      1  -0.124450D+02 -0.315740D+02 -0.484681D+01  0.107508D+02 -0.416101D+02
      2   0.903896D+01  0.488464D+01  0.493596D+01  0.699186D+01  0.191003D+02
      3   0.340608D+01  0.266894D+02 -0.891505D-01 -0.177427D+02  0.225098D+02
      4  -0.494889D+01  0.464888D+01 -0.392013D+01 -0.175057D-01  0.194559D+01
      5   0.199147D+00  0.109406D+02  0.285453D+00  0.909184D+01  0.301263D+01
      6   0.136686D+02 -0.163482D+01  0.676129D+01  0.233539D+01 -0.665488D+01
                56            57            58            59            60 
      1  -0.823577D+01 -0.220676D+01 -0.552779D+02 -0.298111D+02  0.972665D+01
      2   0.482764D+01  0.132504D+01  0.298498D+02  0.129282D+02 -0.661882D+01
      3   0.340813D+01  0.881715D+00  0.254281D+02  0.168830D+02 -0.310782D+01
      4  -0.220334D+02  0.140204D+01 -0.525824D+02  0.746186D+01  0.121435D+02
      5   0.228034D+01 -0.166000D+02  0.775708D+01  0.127344D+02  0.231833D+02
      6  -0.118751D+01  0.517811D+01  0.386801D+01 -0.734954D+01 -0.107649D+02
                61            62            63            64            65 
      1   0.101185D+02  0.836335D+01 -0.130169D+02 -0.441863D+02  0.112230D+02
      2  -0.895743D+00 -0.384124D+01  0.374562D+01  0.297795D+02 -0.520044D+01
      3  -0.922274D+01 -0.452211D+01  0.927129D+01  0.144068D+02 -0.602256D+01
      4   0.193519D+01  0.156368D+02  0.357632D+02  0.138491D+02  0.292104D+02
      5  -0.335728D+02  0.320769D+02 -0.956544D+01  0.308579D+02 -0.616323D+01
      6   0.158724D+02 -0.118579D+02 -0.110726D+01  0.643551D+01  0.435045D+00
                66            67            68            69            70 
      1   0.318352D+02  0.597745D+02  0.483245D+02 -0.122571D+02  0.319099D+02
      2  -0.162572D+02 -0.243780D+02 -0.203172D+02  0.369197D+01 -0.161821D+02
      3  -0.155780D+02 -0.353965D+02 -0.280073D+02  0.856513D+01 -0.157278D+02
      4  -0.410369D+01  0.527633D+02  0.629888D+01 -0.163104D+02 -0.846434D+01
      5   0.170594D+02 -0.199594D+02 -0.185724D+02 -0.311745D+02  0.344136D+02
      6   0.683144D+01 -0.400812D+01 -0.247356D+01 -0.702868D+01  0.725900D+00
                71            72            73            74            75 
      1  -0.702027D+01  0.414080D+02  0.541183D+02 -0.137272D+02 -0.317567D+02
      2  -0.473659D+01 -0.213782D+02 -0.317990D+02  0.399817D+01  0.149997D+02
      3   0.117569D+02 -0.200298D+02 -0.223194D+02  0.972902D+01  0.167570D+02
      4  -0.185952D+02 -0.296752D+02 -0.194604D+02 -0.384708D+02  0.132823D+02
      5  -0.320562D+02  0.221562D+02 -0.287551D+02  0.147468D+02 -0.248175D+02
      6  -0.500834D+01  0.765246D+01  0.253452D+01  0.679412D+01 -0.886533D+00
                76            77            78            79            80 
      1  -0.305261D+02 -0.506608D+02  0.208926D+02 -0.344156D+02  0.178579D+02
      2   0.801681D+01  0.257053D+02 -0.172845D+01  0.150250D+02 -0.723186D+00
      3   0.225093D+02  0.249555D+02 -0.191642D+02  0.193906D+02 -0.171347D+02
      4  -0.656076D+02 -0.250954D+02  0.345436D+02  0.164867D+02  0.292730D+02
      5   0.218576D+02  0.378450D+02  0.407261D+02 -0.457632D+02  0.414543D+02
      6   0.120031D+02  0.510628D+01 -0.669760D+01  0.216500D+00 -0.607295D+01
                81            82            83            84            85 
      1  -0.418947D+02  0.533233D+02 -0.110869D+02 -0.151523D+02 -0.143148D+02
      2   0.258972D+02 -0.355156D+02 -0.728920D+01  0.175588D+02 -0.115419D+02
      3   0.159975D+02 -0.178076D+02  0.183761D+02 -0.240647D+01  0.258567D+02
      4   0.397879D+02 -0.749706D+01 -0.301226D+02  0.211191D+01 -0.390021D+02
      5  -0.111996D+00 -0.125765D+02  0.502412D+01 -0.172481D+02  0.843181D+01
      6  -0.631309D+01 -0.583738D+01 -0.159269D+00 -0.588703D+01  0.946596D+00
                86            87            88            89            90 
      1  -0.251144D+02 -0.180447D+01 -0.134799D+02 -0.242001D+01 -0.248000D+02
      2  -0.796362D+01 -0.620471D+00  0.180271D+02  0.537719D+01  0.290192D+02
      3   0.330780D+02  0.242494D+01 -0.454712D+01 -0.295718D+01 -0.421924D+01
      4  -0.394461D+02  0.156912D+02  0.370100D+01  0.276973D+02  0.153970D+02
      5   0.125791D+02  0.269231D+02 -0.263785D+02  0.223953D+02 -0.297885D+02
      6   0.664934D+01  0.111047D+02 -0.362346D+01  0.904799D+01 -0.303597D+01
                91            92            93            94            95 
      1   0.805588D+01 -0.294023D+01  0.258500D+00 -0.158708D+02 -0.221651D+02
      2  -0.118661D+02 -0.432556D+01 -0.316202D+01  0.428955D+01  0.258253D+01
      3   0.381018D+01  0.726579D+01  0.290352D+01  0.115812D+02  0.195826D+02
      4  -0.218660D+02 -0.244343D+02 -0.619574D+01 -0.571976D+02  0.109596D+02
      5  -0.208947D+01 -0.521645D+01 -0.739248D+01 -0.442052D+01 -0.121514D+02
      6  -0.274795D+01 -0.143512D+01 -0.355427D+01 -0.539565D+01 -0.277376D+01
                96            97            98            99           100 
      1  -0.186230D+01 -0.135333D+02 -0.445125D+01 -0.158634D+01 -0.275662D+01
      2   0.142216D+01 -0.548558D+01  0.251030D+00  0.121025D+02  0.304445D+01
      3   0.440141D+00  0.190189D+02  0.420023D+01 -0.105162D+02 -0.287833D+00
      4  -0.123801D+02 -0.119558D+02 -0.272060D+02 -0.390937D-01  0.855085D+01
      5  -0.469767D+00 -0.106321D+02  0.117068D+01  0.385581D+02 -0.195806D+02
      6   0.118191D-01 -0.247003D+01  0.274537D+01  0.335245D+01  0.559725D+01
               101           102           103           104           105 
      1   0.326570D+01 -0.908070D+01  0.134317D+02  0.781832D+01  0.522385D+01
      2  -0.125577D+01  0.920753D+01 -0.117892D+02  0.182641D+00 -0.979736D+01
      3  -0.200993D+01 -0.126826D+00 -0.164245D+01 -0.800096D+01  0.457350D+01
      4   0.332256D+01  0.607324D+01  0.961287D+01 -0.255751D+02  0.164333D+02
      5   0.563410D+01 -0.716206D+01 -0.655339D+00  0.162378D+02  0.134857D+02
      6  -0.422326D+01  0.607387D+01  0.617988D+01 -0.145873D+02 -0.876311D+01
               106           107           108           109           110 
      1  -0.312097D+02  0.729086D+01 -0.997126D+01  0.410364D+02 -0.633704D+01
      2   0.206972D+02 -0.462364D+01  0.115187D+02 -0.263832D+02  0.199323D+01
      3   0.105125D+02 -0.266723D+01 -0.154743D+01 -0.146531D+02  0.434382D+01
      4   0.171018D+02 -0.323421D+01  0.170075D+02 -0.153313D+02  0.149003D+02
      5  -0.292018D+02  0.152272D+02 -0.417324D+02  0.379743D+02 -0.498688D+01
      6   0.119165D+02 -0.165876D+02  0.141125D+02 -0.103833D+02  0.327152D+01
               111           112           113           114           115 
      1   0.271026D+02 -0.444922D+01  0.221596D+01  0.112988D+01  0.474208D+02
      2  -0.194538D+02 -0.209034D+00  0.720498D+00  0.101617D+00 -0.287530D+02
      3  -0.764877D+01  0.465825D+01 -0.293646D+01 -0.123150D+01 -0.186678D+02
      4  -0.892774D+01  0.150804D+02 -0.416306D+01  0.121809D+02 -0.225473D+02
      5   0.270760D+02 -0.657310D+01  0.121487D+02 -0.102905D+02  0.485666D+02
      6  -0.619750D+01  0.482236D+01 -0.626181D+01  0.131083D+02 -0.127323D+02
               116           117           118           119           120 
      1  -0.294685D+01  0.108558D+02  0.116844D+01 -0.133503D+02 -0.991187D+01
      2  -0.230141D+01 -0.309420D+02 -0.128838D+01  0.162150D+02  0.424431D+01
      3   0.524825D+01  0.200862D+02  0.119941D+00 -0.286469D+01  0.566757D+01
      4   0.291916D+02 -0.151089D+02 -0.243857D+01 -0.595638D+01  0.707681D+01
      5  -0.138671D+02  0.756947D+02 -0.905073D+01  0.228538D+01  0.467557D+01
      6   0.155402D+02 -0.282684D+02  0.500052D+01 -0.235380D+00 -0.474299D+00
               121           122           123           124           125 
      1  -0.105188D+02 -0.761589D+01 -0.555138D+01 -0.129131D+02 -0.708027D+01
      2   0.158158D+02 -0.862680D+01  0.119197D+02 -0.325905D+00  0.215817D+02
      3  -0.529696D+01  0.162427D+02 -0.636836D+01  0.132390D+02 -0.145014D+02
      4  -0.664683D+01  0.382567D+02 -0.213475D+02  0.211060D+02 -0.392824D+02
      5   0.814221D+01 -0.213905D+02 -0.652428D+01  0.117806D+02 -0.157544D+02
      6  -0.580553D+01  0.210989D+02  0.107301D+02 -0.522115D+01  0.171149D+02
               126           127           128           129           130 
      1  -0.449301D+01  0.536575D+00  0.163581D+01 -0.356863D+01 -0.850563D+00
      2  -0.829743D+00 -0.659450D+01 -0.549881D+00 -0.618060D+01  0.173832D+01
      3   0.532275D+01  0.605793D+01 -0.108593D+01  0.974923D+01 -0.887753D+00
      4  -0.135871D+02 -0.584889D+01  0.437076D+01 -0.535450D+01  0.929989D+00
      5  -0.228139D+02  0.176434D+02 -0.305890D+01  0.177909D+02 -0.287628D+01
      6   0.176967D+02 -0.658128D+01  0.370989D+01 -0.713705D+01  0.188095D+01
               131           132           133           134           135 
      1  -0.155279D+01  0.157821D+01 -0.583471D+01  0.433546D+01 -0.212402D+02
      2  -0.348762D+00  0.117471D+01 -0.753001D+01 -0.330606D+00 -0.121748D+02
      3   0.190155D+01 -0.275292D+01  0.133647D+02 -0.400485D+01  0.334150D+02
      4  -0.146969D+01  0.237187D+01 -0.468593D+01  0.401292D+01 -0.673115D+01
      5   0.233822D+01 -0.366884D+01  0.181578D+02 -0.380510D+01  0.266260D+02
      6  -0.118758D+01  0.322925D+01 -0.738510D+01  0.739361D+01 -0.147257D+02
               136           137           138           139           140 
      1  -0.288079D+01 -0.152687D+00  0.588516D+01 -0.661551D+00 -0.143194D+01
      2  -0.580229D+01 -0.291040D-02  0.631020D+01  0.623412D-01 -0.487335D+00
      3   0.868309D+01  0.155597D+00 -0.121954D+02  0.599210D+00  0.191927D+01
      4   0.276231D+01  0.214439D+01 -0.271149D+01  0.321426D+00 -0.268283D+00
      5  -0.119209D+02 -0.715994D+00  0.152059D+02  0.798575D-01 -0.127681D+01
      6  -0.288511D+01 -0.186491D+01  0.314723D+01 -0.360412D+00 -0.353622D+00
               141           142           143           144           145 
      1   0.854398D+00  0.894914D+01  0.282585D+01 -0.329318D+02  0.311979D+01
      2   0.399268D+00  0.654860D+01 -0.454822D+00 -0.167446D+02 -0.512174D+01
      3  -0.125367D+01 -0.154977D+02 -0.237103D+01  0.496764D+02  0.200195D+01
      4  -0.946267D+00 -0.294946D+01 -0.275247D+01  0.421276D+01  0.767430D+00
      5  -0.279562D+00  0.141554D+02  0.151765D+01 -0.237476D+02  0.110799D+02
      6   0.229452D+01  0.462321D+01  0.674610D+01 -0.124278D+02  0.142140D+01
               146           147           148           149           150 
      1  -0.400601D+00 -0.162436D+01 -0.704918D+00 -0.371074D+00  0.154732D+01
      2   0.631219D+00 -0.408139D+01  0.546250D+00 -0.616405D+00  0.496122D+00
      3  -0.230618D+00  0.570575D+01  0.158668D+00  0.987479D+00 -0.204345D+01
      4   0.293292D+01  0.634091D+00  0.162465D+01 -0.123738D+01  0.576601D+00
      5  -0.108694D+01  0.105724D+02 -0.103788D+01  0.199798D+01 -0.212090D+01
      6   0.128873D+01  0.142567D+01  0.234759D+00 -0.914283D+00  0.955570D+00
               151           152           153           154           155 
      1  -0.457901D+01  0.803335D+00 -0.157052D+02  0.251656D+00  0.126031D+01
      2  -0.538829D+01  0.799041D+00 -0.929637D+01 -0.531161D+01 -0.881936D+00
      3   0.996729D+01 -0.160238D+01  0.250016D+02  0.505995D+01 -0.378376D+00
      4   0.974122D+00  0.266546D+01  0.129048D+01 -0.167578D+01  0.226802D+01
      5   0.131267D+02 -0.103334D+01  0.180432D+02 -0.994732D+01  0.459340D+00
      6   0.220411D+01  0.402540D+01  0.365393D+01  0.340345D+01 -0.159015D+01
               156           157           158           159           160 
      1   0.285444D+01 -0.108059D+01 -0.146686D+01  0.142046D+01  0.431276D+01
      2   0.517730D+01  0.651273D+00 -0.351225D+00 -0.923880D-01  0.681960D+01
      3  -0.803174D+01  0.429315D+00  0.181809D+01 -0.132808D+01 -0.111324D+02
      4   0.220614D+01  0.111839D+01 -0.584473D+00 -0.123972D+01  0.152420D+01
      5   0.128066D+02  0.631947D+00 -0.194416D+01 -0.735143D+00  0.134700D+02
      6  -0.431588D+01 -0.135126D+01  0.672464D-01  0.167108D+01 -0.404324D+01
               161           162           163           164           165 
      1  -0.160228D+01 -0.251569D+02  0.132820D+02 -0.559437D+01 -0.678051D+01
      2   0.853308D+00 -0.134867D+02 -0.465369D+01  0.103783D+01  0.277245D+01
      3   0.748970D+00  0.386435D+02 -0.862833D+01  0.455654D+01  0.400806D+01
      4  -0.265742D+01 -0.290041D+01 -0.130939D+02  0.162326D+02  0.687457D+01
      5  -0.413998D+00 -0.214986D+02 -0.118101D+02  0.542925D+01  0.899904D+01
      6   0.559552D+01  0.106116D+02  0.549794D+01 -0.237223D+01 -0.266022D+01
               166           167           168           169           170 
      1  -0.309793D+01 -0.323506D+01 -0.335207D+01 -0.229508D+02 -0.512467D+01
      2  -0.294582D+01  0.129353D+02  0.589909D+01  0.992455D+01  0.620898D+01
      3   0.604375D+01 -0.970025D+01 -0.254701D+01  0.130263D+02 -0.108431D+01
      4   0.248048D+02 -0.318957D+02 -0.176026D+02  0.166250D+02 -0.253463D+02
      5   0.876104D+01 -0.160198D+02 -0.130339D+02  0.213128D+02 -0.189369D+02
      6  -0.649108D+01  0.129567D+02  0.107657D+02 -0.104720D+02  0.129081D+02
               171           172           173           174           175 
      1   0.544453D+00  0.178158D+02 -0.436953D+01  0.913452D+01  0.950210D+00
      2  -0.112849D+01 -0.884451D+01  0.175087D+00 -0.458183D+01 -0.301778D+01
      3   0.584040D+00 -0.897128D+01  0.419445D+01 -0.455268D+01  0.206757D+01
      4  -0.218951D+02 -0.123216D+02  0.148976D+02 -0.879129D+01  0.144107D+02
      5  -0.211886D+02  0.156615D+02 -0.718562D+01  0.134949D+02 -0.587679D+01
      6   0.124670D+02 -0.513325D+01  0.261570D+01 -0.348573D+01  0.404793D+01
               176           177           178           179           180 
      1   0.142833D+01  0.842699D+00  0.205353D+02  0.203223D+00  0.222298D+01
      2   0.352335D+01 -0.239035D+01 -0.103010D+02 -0.241525D+01 -0.346069D+01
      3  -0.495168D+01  0.154765D+01 -0.102343D+02  0.221203D+01  0.123771D+01
      4  -0.157777D+02  0.911336D+01 -0.143095D+02  0.169785D+02 -0.186841D+02
      5   0.864507D+01 -0.869647D+01  0.189413D+02 -0.165400D+02  0.274939D+02
      6  -0.564593D+01  0.777671D+01 -0.707277D+01  0.917494D+01 -0.104628D+02
               181           182           183           184           185 
      1  -0.109631D+02  0.313248D+01 -0.155138D+02  0.126539D+01 -0.158671D+02
      2   0.306724D+01 -0.158564D+01  0.555111D+01 -0.132564D+01  0.922421D+01
      3   0.789589D+01 -0.154684D+01  0.996269D+01  0.602459D-01  0.664286D+01
      4  -0.233883D+01 -0.542105D+01  0.937612D+00 -0.259373D+01  0.726744D+01
      5  -0.855946D+01  0.141604D+01 -0.550671D+01  0.125564D+01 -0.541182D+01
      6  -0.461743D+01  0.173898D+01 -0.487453D+01  0.202994D+01 -0.578735D+01
               186           187           188           189           190 
      1   0.855275D+01 -0.273023D+02  0.847211D+01 -0.259900D+02  0.117333D+02
      2  -0.428018D+01  0.112472D+02 -0.177700D+01  0.561701D+00 -0.804740D+01
      3  -0.427257D+01  0.160551D+02 -0.669511D+01  0.254283D+02 -0.368592D+01
      4  -0.515613D+01  0.315440D+00 -0.800488D+01  0.107001D+02 -0.976415D+01
      5   0.138434D+02 -0.268366D+01  0.122502D+02 -0.335236D+02 -0.126820D+02
      6   0.104515D+02 -0.282465D+01  0.790419D+01 -0.138894D+02  0.276779D+01
               191           192           193           194           195 
      1  -0.996670D+01 -0.107267D+02 -0.247022D+02  0.133850D+02  0.725121D+01
      2   0.604022D+01  0.711743D+01  0.155554D+02 -0.810919D+01 -0.977928D+01
      3   0.392648D+01  0.360930D+01  0.914685D+01 -0.527580D+01  0.252807D+01
      4   0.110908D+02  0.593058D+01  0.237774D+02 -0.308282D+02 -0.271876D+02
      5   0.695935D+01  0.156591D+02  0.178500D+02 -0.282017D+02 -0.340785D+02
      6  -0.187445D+01 -0.123940D+01 -0.480924D+01  0.834929D+01  0.848169D+01
               196           197           198           199           200 
      1  -0.250003D+02  0.439689D+01  0.157931D+02  0.475634D+02 -0.111006D+02
      2   0.187721D+02 -0.802484D+01 -0.228321D+02 -0.235702D+02  0.542586D+01
      3   0.622818D+01  0.362795D+01  0.703897D+01 -0.239932D+02  0.567472D+01
      4   0.115995D+02 -0.282095D+02 -0.280406D+02 -0.991079D+01  0.141860D+02
      5   0.346905D+02 -0.295140D+02 -0.529801D+02  0.223527D+02 -0.775386D+01
      6  -0.284971D+01  0.860584D+01  0.787409D+01 -0.746138D+00 -0.856422D+00
               201           202           203           204           205 
      1   0.243788D+02 -0.218232D+02  0.175828D+02 -0.103109D+02  0.581232D+02
      2  -0.111442D+02  0.107705D+02 -0.738876D+01  0.344040D+01 -0.296290D+02
      3  -0.132346D+02  0.110526D+02 -0.101940D+02  0.687046D+01 -0.284942D+02
      4  -0.773898D+01  0.218293D+02 -0.127048D+02  0.752293D+01 -0.126079D+02
      5   0.220364D+02 -0.102121D+02  0.716845D+01 -0.169297D+02  0.343354D+02
      6   0.311734D+00 -0.158652D+00 -0.147813D+01  0.287542D+01 -0.114122D+00
               206           207           208           209           210 
      1  -0.128714D+02  0.296010D+02  0.509227D+02  0.287880D+02 -0.919312D+01
      2   0.525595D+01 -0.171682D+02 -0.223567D+02 -0.120461D+02  0.533794D+01
      3   0.761549D+01 -0.124328D+02 -0.285660D+02 -0.167418D+02  0.385518D+01
      4   0.148869D+02 -0.154613D+02  0.360478D+02  0.328073D+02 -0.103449D+02
      5  -0.160028D+02  0.426273D+02 -0.153300D+02 -0.117641D+02  0.141972D+02
      6   0.244781D+01  0.348863D+00 -0.637973D+01 -0.507211D+01  0.297094D+01
               211           212           213           214           215 
      1   0.622324D+02  0.340766D+02 -0.135272D+02 -0.115265D+02 -0.789912D+01
      2  -0.251021D+02 -0.690817D+01  0.665336D+01  0.731032D+01  0.360682D+01
      3  -0.371303D+02 -0.271684D+02  0.687387D+01  0.421621D+01  0.429230D+01
      4   0.573514D+02  0.644217D+02 -0.194651D+02 -0.129831D+02 -0.159365D+02
      5  -0.240406D+02 -0.206326D+02  0.161599D+02  0.231373D+02  0.956144D+01
      6  -0.103919D+02 -0.121625D+02  0.826790D+01  0.528994D+01  0.750893D+01
               216           217           218           219           220 
      1   0.137354D+02  0.112646D+02 -0.135537D+01  0.123415D+02 -0.726147D+01
      2  -0.843627D+01 -0.979641D+01  0.388315D+01 -0.131308D+02  0.734380D+01
      3  -0.529909D+01 -0.146817D+01 -0.252778D+01  0.789319D+00 -0.823323D-01
      4   0.899457D+01  0.335075D+01  0.891083D+01  0.317328D+01  0.526278D+01
      5  -0.139598D+02  0.194281D+02  0.886250D-01  0.242250D+02 -0.718594D+01
      6  -0.429176D+01  0.371493D+01  0.207634D+01  0.524638D+01  0.695952D+00
               221           222           223           224           225 
      1   0.343125D+01 -0.293763D+01  0.148072D+02 -0.253285D+01  0.375076D+01
      2  -0.206900D+01  0.723666D+01 -0.157338D+02  0.537885D+01 -0.244753D+02
      3  -0.136225D+01 -0.429903D+01  0.926614D+00 -0.284600D+01  0.207245D+02
      4  -0.116859D+01  0.419082D+01  0.484589D+01  0.768752D+01  0.239457D+01
      5   0.594231D+01 -0.161743D+02  0.248557D+02 -0.133292D+01  0.538523D+02
      6  -0.156952D+01  0.301826D+00  0.575415D+01  0.430066D+01  0.140066D+02
               226           227           228           229           230 
      1  -0.559668D+02  0.141331D+02  0.126347D+02  0.726034D+01 -0.104995D+02
      2   0.311971D+02 -0.124891D+02 -0.721295D+01 -0.551492D+01  0.106139D+02
      3   0.247697D+02 -0.164395D+01 -0.542175D+01 -0.174542D+01 -0.114461D+00
      4  -0.142436D+02 -0.407680D+01 -0.161449D+01  0.222358D+01  0.360444D+01
      5  -0.577345D+00 -0.418077D+01 -0.361103D+01 -0.107738D+01 -0.675473D+00
      6   0.323099D+01 -0.525720D+01 -0.484387D+01 -0.375281D+01  0.193653D+01
               231           232           233           234           235 
      1  -0.390442D+01  0.959262D+01 -0.255934D+01 -0.599323D+01  0.132015D+02
      2   0.244012D+01 -0.517487D+01  0.885043D+00  0.250381D+00  0.302942D+01
      3   0.146430D+01 -0.441775D+01  0.167430D+01  0.574285D+01 -0.162309D+02
      4  -0.127977D+01  0.149144D+01 -0.254784D+01 -0.121694D+01  0.279932D+02
      5  -0.232574D+01  0.250358D+01 -0.343106D+00  0.524929D+01  0.233436D+01
      6   0.168296D+01 -0.347247D+01  0.286445D+01  0.340557D+01  0.186497D+01
               236           237           238           239           240 
      1   0.124601D+02 -0.446039D+00  0.127066D+02 -0.191569D+01 -0.977858D+00
      2   0.728683D+01 -0.140860D+01  0.100681D+02  0.395354D+02 -0.116225D+01
      3  -0.197470D+02  0.185464D+01 -0.227747D+02 -0.376197D+02  0.214011D+01
      4   0.348977D+02  0.386207D+00  0.405881D+02  0.724014D+02 -0.119641D+01
      5   0.253921D+01  0.790258D+01  0.223442D+01  0.198457D+01  0.655235D+01
      6   0.235820D+01  0.371190D+01  0.194118D+01  0.506149D+01  0.678200D+01
               241           242           243           244           245 
      1  -0.539927D+01 -0.612742D+00  0.292980D+01  0.207975D+01  0.126606D+01
      2  -0.107138D+01 -0.641069D+01  0.132262D+00 -0.622534D+01 -0.333633D-02
      3   0.647064D+01  0.702344D+01 -0.306206D+01  0.414559D+01 -0.126272D+01
      4  -0.790061D+01 -0.149718D+02  0.712067D+01  0.272108D+01  0.550863D+01
      5   0.783746D+01  0.549431D+01 -0.828989D+00 -0.144328D+02  0.690296D+00
      6   0.402171D+01  0.651484D+01 -0.200558D+01 -0.111355D+01 -0.733243D-01
               246           247           248           249           250 
      1  -0.822826D+01  0.118221D+01  0.138622D+01  0.170130D+00 -0.101065D+02
      2   0.697188D+01  0.365081D+00 -0.135576D+01 -0.122532D+01  0.109004D+02
      3   0.125639D+01 -0.154729D+01 -0.304564D-01  0.105518D+01 -0.793836D+00
      4  -0.369535D+00  0.887098D+01 -0.111690D+01 -0.467331D+01 -0.214422D+01
      5   0.140887D+02  0.588545D+00 -0.515140D+01 -0.240618D-01  0.198052D+02
      6   0.114076D+01 -0.137977D+01 -0.576982D+00  0.547875D+01  0.906052D+00
               251           252           253           254           255 
      1   0.585525D+00 -0.406743D+01 -0.949058D+02 -0.117041D+02  0.843380D+01
      2  -0.956500D+00 -0.179136D+02  0.520028D+02  0.160568D+02 -0.608938D+01
      3   0.370974D+00  0.219810D+02  0.429030D+02 -0.435272D+01 -0.234442D+01
      4  -0.812435D+01  0.170564D+01 -0.194826D+02  0.295426D+02  0.360719D+01
      5   0.355861D+00 -0.465463D+02  0.127971D+02  0.885267D+00  0.998721D+01
      6   0.376419D+01 -0.461453D+01  0.693449D+01  0.358126D+00  0.544316D+01
               256           257           258           259           260 
      1   0.206513D+02  0.356349D+02 -0.522278D+01  0.208131D+02 -0.490315D+01
      2   0.273847D+01 -0.263964D+02  0.116251D+02 -0.540051D+01  0.156899D+02
      3  -0.233898D+02 -0.923856D+01 -0.640229D+01 -0.154126D+02 -0.107867D+02
      4   0.459828D+02  0.889036D+00  0.187427D+02  0.144213D+02  0.272119D+02
      5   0.577502D+01  0.205605D+02 -0.399808D+01  0.117328D+02 -0.837809D+01
      6   0.490930D+01  0.148816D+02 -0.142608D+01  0.536053D+01 -0.405992D+01
               261           262           263           264           265 
      1   0.178679D+02  0.497726D+01 -0.822817D+01  0.470140D+00 -0.337536D+01
      2  -0.661747D+01  0.468578D+01 -0.428911D+01  0.312553D+00 -0.105841D+02
      3  -0.112504D+02 -0.966304D+01  0.125173D+02 -0.782693D+00  0.139595D+02
      4  -0.341842D+01 -0.162855D+02  0.242586D+02 -0.106337D+01  0.285730D+02
      5  -0.302328D+02 -0.831531D+00  0.127758D+00  0.262502D+01  0.656718D-01
      6  -0.144408D+02 -0.244922D+00  0.203227D+00 -0.825734D+00  0.502650D+00
               266           267           268           269           270 
      1  -0.129997D+02 -0.140344D+00  0.168316D+01  0.322382D+01 -0.169084D+01
      2   0.467151D+02 -0.208477D+01  0.476721D+01 -0.170481D+02  0.497832D+01
      3  -0.337154D+02  0.222511D+01 -0.645037D+01  0.138243D+02 -0.328749D+01
      4  -0.718779D+02  0.202254D+01 -0.124970D+02  0.295119D+02 -0.835394D+01
      5  -0.160012D+00 -0.840948D+01  0.367675D+01 -0.753782D+01  0.236884D+01
      6  -0.763656D+00  0.602570D+01 -0.322737D+01  0.900095D+01 -0.282237D+01
               271           272           273           274           275 
      1   0.642949D+01  0.314152D+01  0.571743D+01 -0.205945D+01 -0.715871D+01
      2  -0.557347D+01 -0.346908D+01 -0.231262D+01  0.192254D+00  0.571604D+01
      3  -0.856018D+00  0.327561D+00 -0.340481D+01  0.186720D+01  0.144268D+01
      4   0.114042D+01 -0.319951D+01  0.950267D+00 -0.123324D+01  0.252467D+01
      5   0.352485D+01 -0.520255D+00 -0.219933D+00  0.486430D+00  0.357976D+01
      6   0.167614D+01 -0.111023D+01 -0.155272D+01  0.842878D-01  0.247342D+01
               276           277           278           279           280 
      1  -0.241603D+01  0.124880D+02 -0.295272D+01 -0.129136D+02  0.137760D+03
      2   0.157240D+01 -0.595698D+01  0.346482D+01 -0.306061D+01 -0.645913D+02
      3   0.843629D+00 -0.653102D+01 -0.512104D+00  0.159743D+02 -0.731688D+02
      4   0.348623D+01  0.957957D+01  0.129335D+02  0.880672D+01  0.530614D+02
      5   0.521602D+01  0.744270D+01  0.102695D+02  0.421234D+02 -0.513374D+01
      6   0.645797D+01  0.204976D+01  0.923858D+01  0.232543D+02 -0.227529D+01
               281           282           283           284           285 
      1   0.138821D+02 -0.526277D+01 -0.812591D+01  0.705595D+01  0.733241D+00
      2  -0.182634D+01  0.290654D+01  0.697030D+01 -0.108255D+01 -0.155728D+01
      3  -0.120557D+02  0.235623D+01  0.115561D+01 -0.597340D+01  0.824038D+00
      4   0.215770D+02 -0.923697D+00  0.113704D+02  0.446213D+01 -0.222450D+01
      5  -0.143707D+00  0.129991D+02 -0.128988D+00 -0.251140D+01 -0.950590D-03
      6   0.298040D+00  0.382659D+01 -0.107022D+00 -0.110759D+01  0.802541D+00
               286           287           288           289           290 
      1  -0.141830D+02 -0.948839D+00  0.961641D+01  0.141230D+01  0.139055D+02
      2   0.687587D+01 -0.146672D+01 -0.591462D+01  0.162832D+01 -0.147391D+02
      3   0.730717D+01  0.241556D+01 -0.370179D+01 -0.304062D+01  0.833577D+00
      4  -0.698660D+01 -0.526019D+01  0.478426D+01  0.367702D+01 -0.869568D+01
      5   0.161388D+02  0.297385D+01 -0.719813D+00 -0.316283D+01  0.157389D+01
      6   0.418577D+01  0.214365D+01  0.477133D+00 -0.238088D+01  0.211102D+01
               291           292           293           294           295 
      1  -0.489037D+01  0.933122D+01 -0.307083D+02  0.692076D+01 -0.796358D+01
      2   0.377662D+01 -0.462105D+01  0.483825D+02 -0.100542D+02  0.266834D+01
      3   0.111375D+01 -0.471017D+01 -0.176742D+02  0.313346D+01  0.529523D+01
      4  -0.349914D+00  0.754116D+01  0.447307D+02 -0.105953D+02 -0.652028D+01
      5  -0.267224D+01 -0.461497D+00 -0.129953D+02  0.923197D+01  0.155329D+01
      6  -0.288645D+01 -0.436172D+00 -0.106481D+02  0.876672D+01  0.287599D+00
               296           297 
      1   0.916865D+01 -0.844041D+01
      2  -0.143623D+02  0.750607D+01
      3   0.519368D+01  0.934340D+00
      4  -0.206566D+02  0.894604D+01
      5   0.109466D+02 -0.538616D+01
      6   0.108835D+02 -0.605291D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.403531D+00      0.102567D+01      0.342128D+01
   y         -0.196659D-02     -0.499856D-02     -0.166734D-01
   z          0.477743D+00      0.121430D+01      0.405048D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.206967D+03      0.306694D+02      0.341243D+02
   yx        -0.463358D+00     -0.686625D-01     -0.763974D-01
   yy         0.126884D+03      0.188023D+02      0.209204D+02
   zx         0.201432D+00      0.298491D-01      0.332116D-01
   zy        -0.506065D-01     -0.749910D-02     -0.834388D-02
   zz         0.145143D+03      0.215079D+02      0.239308D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174248D+03      0.258208D+02      0.287295D+02
   aniso      0.819462D+02      0.121432D+02      0.135111D+02
   xx         0.227811D+03      0.337581D+02      0.375609D+02
   yx        -0.108530D+01     -0.160824D+00     -0.178941D+00
   yy         0.138235D+03      0.204843D+02      0.227918D+02
   zx         0.493066D+00      0.730649D-01      0.812956D-01
   zy         0.513701D-01      0.761226D-02      0.846978D-02
   zz         0.156697D+03      0.232201D+02      0.258359D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.35628412         -1.49730413          2.94051292
     6          2.05547858         -1.45735212          1.88994254
     6         -2.49559630         -1.25464841          1.43631060
     6         -2.28402527         -0.97930461         -1.16830369
     6          0.12700174         -0.94006781         -2.23444570
     6          2.25550401         -1.17505787         -0.72550377
     6          4.38661432         -1.63331218          3.50856039
     6          5.76038484          0.90865256          3.87786098
     6          8.23505352          0.50956942          5.31042548
     6          4.08696700          2.84472723          5.21320190
     6         -4.62932436         -0.77535690         -2.81412876
     6         -4.50928548          1.67555242         -4.29530484
     8         -3.68433655          1.91738560         -6.40149188
     8         -5.40304324          3.64785327         -2.93738034
     1         -0.56661558         -1.71199336          4.96559337
     1         -4.35100582         -1.28200302          2.30113698
     1          0.33655028         -0.71050606         -4.25671632
     1          4.11015398         -1.14151527         -1.59389629
     1          5.71040603         -2.97437160          2.65930994
     1          3.88575900         -2.39022330          5.36615261
     1          6.21430410          1.64488457          1.99657728
     1          9.46690361         -0.82408225          4.32898339
     1          7.87218885         -0.24112324          7.20146014
     1          9.26344529          2.28478768          5.52844923
     1          3.56913582          2.18017858          7.10114731
     1          2.34634789          3.19316456          4.16726981
     1          5.07367852          4.64345011          5.42982452
     1         -6.26138443         -0.64709785         -1.56188587
     6         -4.93011911         -3.03931338         -4.58658990
     1         -5.17418903          5.15072499         -3.96235958
     1         -3.35193315         -3.14982713         -5.90159305
     1         -6.66586380         -2.88831921         -5.68832980
     1         -4.99305448         -4.77873879         -3.48536316

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.625364D+00      0.158952D+01      0.530205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.181026D+03      0.268252D+02      0.298471D+02
   yx        -0.287663D+00     -0.426272D-01     -0.474292D-01
   yy         0.126883D+03      0.188021D+02      0.209202D+02
   zx         0.305113D+02      0.452131D+01      0.503063D+01
   zy        -0.233752D+00     -0.346385D-01     -0.385405D-01
   zz         0.171086D+03      0.253523D+02      0.282082D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174248D+03      0.258208D+02      0.287295D+02
   aniso      0.819462D+02      0.121432D+02      0.135111D+02
   xx         0.197712D+03      0.292980D+02      0.325984D+02
   yx        -0.820181D+00     -0.121538D+00     -0.135230D+00
   yy         0.138233D+03      0.204840D+02      0.227915D+02
   zx         0.351403D+02      0.520726D+01      0.579386D+01
   zy        -0.548782D+00     -0.813211D-01     -0.904819D-01
   zz         0.186797D+03      0.276805D+02      0.307987D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-14\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.859135,-0.797445,1.307905\C,1.475419,-0.773087,0.059735
 \C,-0.519198,-0.667837,1.430715\C,-1.322882,-0.517669,0.305982\C,-0.71
 2213,-0.493664,-0.948233\C,0.663373,-0.61923,-1.065423\C,2.970409,-0.8
 67475,-0.082211\C,3.653427,0.477889,-0.39778\C,5.142776,0.265827,-0.66
 4323\C,3.434072,1.499169,0.716682\C,-2.832871,-0.408434,0.441812\C,-3.
 28862,0.891062,-0.193882\O,-3.674162,1.023041,-1.326622\O,-3.185052,1.
 931949,0.663544\H,1.465467,-0.914551,2.198032\H,-0.973985,-0.684881,2.
 413842\H,-1.317893,-0.368693,-1.836932\H,1.116639,-0.598906,-2.049722\
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 IT IS IMPOSSIBLE TO MEDITATE ON TIME AND THE MYSTERY 
 OF NATURE WITHOUT AN OVERWHELMING EMOTION AT THE
 LIMITATIONS OF HUMAN INTELLIGENCE.

                                         -- ALFRED NORTH WHITEHEAD
 Job cpu time:       1 days  0 hours  1 minutes 15.8 seconds.
 Elapsed time:       0 days  3 hours  0 minutes 14.6 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 15:29:54 2021.
